Crystallography Open Database

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Searching journal of publication like 'The journal of physical chemistry. B'

COD ID: 1501671
CIF file Formula: - C14 H22 N6 O8 S6 -
Comments: Shi, Zheng; Lu, Zhe-Jun; Zhu, Qin-Yu; Huo, Li-Bin; Han, Qiong-Hua; Bian, Guo-Qing; Dai, Jie Diamino-diamido tetrathiafulvalene for the sensing of anions and cations: a view in electrochemistry and structure. The journal of physical chemistry. B 115(12) (2011) 3020-3026
Space group: P -1
Cell volume: 1191.02
Cell parameters: 5.1965; 10.0137; 23.4643; 94.749; 92.033; 101.423;  

COD ID: 1501672
CIF file Formula: - C22 H32 N4 O15 S6 -
Comments: Shi, Zheng; Lu, Zhe-Jun; Zhu, Qin-Yu; Huo, Li-Bin; Han, Qiong-Hua; Bian, Guo-Qing; Dai, Jie Diamino-diamido tetrathiafulvalene for the sensing of anions and cations: a view in electrochemistry and structure. The journal of physical chemistry. B 115(12) (2011) 3020-3026
Space group: P 1 21/n 1
Cell volume: 3410
Cell parameters: 8.261; 43.783; 9.625; 90; 101.617; 90;  

COD ID: 1501673
CIF file Formula: - C16 H30 N4 O8 S8 -
Comments: Shi, Zheng; Lu, Zhe-Jun; Zhu, Qin-Yu; Huo, Li-Bin; Han, Qiong-Hua; Bian, Guo-Qing; Dai, Jie Diamino-diamido tetrathiafulvalene for the sensing of anions and cations: a view in electrochemistry and structure. The journal of physical chemistry. B 115(12) (2011) 3020-3026
Space group: P c a 21
Cell volume: 2787
Cell parameters: 11.432; 24.09; 10.121; 90; 90; 90;  

COD ID: 1501676
CIF file Formula: - C56.75 H87 N2 O8.75 P2 S2 -
Comments: de Namor, Angela F Danil; Aparicio-Aragon, Walther; Nwogu, Nwanyinnaya; El Gamouz, Abdelaziz; Piro, Oscar E.; Castellano, Eduardo E. Calixarene and resorcarene based receptors: from structural and thermodynamic studies to the synthesis of a new mercury(II) selective material. The journal of physical chemistry. B 115(21) (2011) 6922-6934
Space group: P -1
Cell volume: 6039.05
Cell parameters: 16.4633; 18.7981; 21.8791; 94.8166; 93.3602; 115.825;  

COD ID: 1501677
CIF file Formula: - C57 H86 Cl2 N2 O8 P2 S2 -
Comments: de Namor, Angela F Danil; Aparicio-Aragon, Walther; Nwogu, Nwanyinnaya; El Gamouz, Abdelaziz; Piro, Oscar E.; Castellano, Eduardo E. Calixarene and resorcarene based receptors: from structural and thermodynamic studies to the synthesis of a new mercury(II) selective material. The journal of physical chemistry. B 115(21) (2011) 6922-6934
Space group: P 1 21/n 1
Cell volume: 5866.2
Cell parameters: 12.773; 19.556; 23.982; 90; 101.691; 90;  

COD ID: 1501678
CIF file Formula: - C58 H87 Ag Cl2 N3 Na O16 P2 S2 -
Comments: de Namor, Angela F Danil; Aparicio-Aragon, Walther; Nwogu, Nwanyinnaya; El Gamouz, Abdelaziz; Piro, Oscar E.; Castellano, Eduardo E. Calixarene and resorcarene based receptors: from structural and thermodynamic studies to the synthesis of a new mercury(II) selective material. The journal of physical chemistry. B 115(21) (2011) 6922-6934
Space group: P -1
Cell volume: 3333.5
Cell parameters: 11.91; 16.698; 18.973; 98.27; 104.48; 109.57;  

COD ID: 1501679
CIF file Formula: - C64 H104 O24 P8 S8 -
Comments: de Namor, Angela F Danil; Aparicio-Aragon, Walther; Nwogu, Nwanyinnaya; El Gamouz, Abdelaziz; Piro, Oscar E.; Castellano, Eduardo E. Calixarene and resorcarene based receptors: from structural and thermodynamic studies to the synthesis of a new mercury(II) selective material. The journal of physical chemistry. B 115(21) (2011) 6922-6934
Space group: P -1
Cell volume: 4299.21
Cell parameters: 12.6039; 17.4686; 21.7674; 71.24; 80.801; 71.7;  

COD ID: 1501682
CIF file Formula: - C17 H16 N2 O3 V -
Comments: Matsuoka, Naoki; Tsuchimoto, Masanobu; Yoshioka, Naoki Theoretical study of magnetic properties of oxovanadium(IV) complex self-assemblies with tetradentate Schiff base ligands. The journal of physical chemistry. B 115(26) (2011) 8465-8473
Space group: P 21 21 21
Cell volume: 1545.1
Cell parameters: 11.905; 17.238; 7.529; 90; 90; 90;  

COD ID: 1501683
CIF file Formula: - C14 H10 O2 -
Comments: Zhu, Xiao-Qing; Zhou, Jian; Wang, Chun-Hua; Li, Xiu-Tao; Jing, Sha Actual structure, thermodynamic driving force, and mechanism of benzofuranone-typical compounds as antioxidants in solution. The journal of physical chemistry. B 115(13) (2011) 3588-3603
Space group: P 21 21 21
Cell volume: 1027.4
Cell parameters: 8.1037; 10.127; 12.519; 90; 90; 90;  

COD ID: 1501685
CIF file Formula: - C2 H8 Cl N -
Comments: Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero Thermal and structural properties of ethylammonium chloride and its mixture with water. The journal of physical chemistry. B 115(17) (2011) 4887-4899
Space group: P 1 21/m 1
Cell volume: 223.032
Cell parameters: 8.2039; 5.99673; 4.5435; 90; 93.8032; 90;  

COD ID: 1501686
CIF file Formula: - C2 H8 Cl N -
Comments: Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero Thermal and structural properties of ethylammonium chloride and its mixture with water. The journal of physical chemistry. B 115(17) (2011) 4887-4899
Space group: P 1 21/m 1
Cell volume: 223.327
Cell parameters: 8.20987; 5.99729; 4.54601; 90; 93.8491; 90;  

COD ID: 1501687
CIF file Formula: - C2 H8 Cl N -
Comments: Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero Thermal and structural properties of ethylammonium chloride and its mixture with water. The journal of physical chemistry. B 115(17) (2011) 4887-4899
Space group: P 1 21/m 1
Cell volume: 223.67
Cell parameters: 8.21673; 5.99825; 4.54871; 90; 93.8929; 90;  

COD ID: 1501688
CIF file Formula: - C2 H8 Cl N -
Comments: Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero Thermal and structural properties of ethylammonium chloride and its mixture with water. The journal of physical chemistry. B 115(17) (2011) 4887-4899
Space group: P 1 21/m 1
Cell volume: 223.978
Cell parameters: 8.22307; 5.99899; 4.55113; 90; 93.9367; 90;  

COD ID: 1501689
CIF file Formula: - C2 H8 Cl N -
Comments: Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero Thermal and structural properties of ethylammonium chloride and its mixture with water. The journal of physical chemistry. B 115(17) (2011) 4887-4899
Space group: P 1 21/m 1
Cell volume: 224.265
Cell parameters: 8.22913; 5.99941; 4.55352; 90; 93.9808; 90;  

COD ID: 1501690
CIF file Formula: - C2 H8 Cl N -
Comments: Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero Thermal and structural properties of ethylammonium chloride and its mixture with water. The journal of physical chemistry. B 115(17) (2011) 4887-4899
Space group: P 1 21/m 1
Cell volume: 224.566
Cell parameters: 8.23546; 5.99997; 4.55596; 90; 94.0251; 90;  

COD ID: 1501691
CIF file Formula: - C2 H8 Cl N -
Comments: Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero Thermal and structural properties of ethylammonium chloride and its mixture with water. The journal of physical chemistry. B 115(17) (2011) 4887-4899
Space group: P 1 21/m 1
Cell volume: 224.858
Cell parameters: 8.24185; 6.00052; 4.55819; 90; 94.071; 90;  

COD ID: 1501692
CIF file Formula: - C2 H8 Cl N -
Comments: Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero Thermal and structural properties of ethylammonium chloride and its mixture with water. The journal of physical chemistry. B 115(17) (2011) 4887-4899
Space group: P 1 21/m 1
Cell volume: 225.206
Cell parameters: 8.24909; 6.00107; 4.56111; 90; 94.1234; 90;  

COD ID: 1501693
CIF file Formula: - C2 H8 Cl N -
Comments: Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero Thermal and structural properties of ethylammonium chloride and its mixture with water. The journal of physical chemistry. B 115(17) (2011) 4887-4899
Space group: P 1 21/m 1
Cell volume: 225.511
Cell parameters: 8.25578; 6.00157; 4.56351; 90; 94.1741; 90;  

COD ID: 1501694
CIF file Formula: - C2 H8 Cl N -
Comments: Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero Thermal and structural properties of ethylammonium chloride and its mixture with water. The journal of physical chemistry. B 115(17) (2011) 4887-4899
Space group: P 1 21/m 1
Cell volume: 225.833
Cell parameters: 8.26299; 6.00194; 4.56608; 90; 94.2299; 90;  

COD ID: 1501695
CIF file Formula: - C2 H8 Cl N -
Comments: Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero Thermal and structural properties of ethylammonium chloride and its mixture with water. The journal of physical chemistry. B 115(17) (2011) 4887-4899
Space group: P 1 21/m 1
Cell volume: 226.148
Cell parameters: 8.26972; 6.00243; 4.56867; 90; 94.2836; 90;  

COD ID: 1501696
CIF file Formula: - C2 Cl N -
Comments: Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero Thermal and structural properties of ethylammonium chloride and its mixture with water. The journal of physical chemistry. B 115(17) (2011) 4887-4899
Space group: P 4/n m m :2
Cell volume: 255.008
Cell parameters: 5.05111; 5.05111; 9.99493; 90; 90; 90;  

COD ID: 1501707
CIF file Formula: - C54 H52 N2 S2 -
Comments: Zhang, Xiqi; Chi, Zhenguo; Zhang, Jianyong; Li, Haiyin; Xu, Bingjia; Li, Xiaofang; Liu, Siwei; Zhang, Yi; Xu, Jiarui Piezofluorochromic properties and mechanism of an aggregation-induced emission enhancement compound containing N-hexyl-phenothiazine and anthracene moieties. The journal of physical chemistry. B 115(23) (2011) 7606-7611
Space group: P -1
Cell volume: 2054.4
Cell parameters: 5.7587; 17.681; 21.772; 111.793; 91.7; 92.295;  

COD ID: 1501710
CIF file Formula: - C11 H11 F6 N3 O4 S2 -
Comments: Lethesh, Kallidanthiyil Chellappan; Van Hecke, Kristof; Van Meervelt, Luc; Nockemann, Peter; Kirchner, Barbara; Zahn, Stefan; Parac-Vogt, Tatjana N; Dehaen, Wim; Binnemans, Koen Nitrile-functionalized pyridinium, pyrrolidinium, and piperidinium ionic liquids. The journal of physical chemistry. B 115(26) (2011) 8424-8438
Space group: P 1 21/n 1
Cell volume: 1703
Cell parameters: 11.2891; 12.2491; 12.4087; 90; 97.027; 90;  

COD ID: 1501711
CIF file Formula: - C9 H7 F6 N3 O4 S2 -
Comments: Lethesh, Kallidanthiyil Chellappan; Van Hecke, Kristof; Van Meervelt, Luc; Nockemann, Peter; Kirchner, Barbara; Zahn, Stefan; Parac-Vogt, Tatjana N; Dehaen, Wim; Binnemans, Koen Nitrile-functionalized pyridinium, pyrrolidinium, and piperidinium ionic liquids. The journal of physical chemistry. B 115(26) (2011) 8424-8438
Space group: P -1
Cell volume: 713.551
Cell parameters: 8.1408; 8.7005; 10.582; 80.863; 76.27; 81.141;  

COD ID: 1501712
CIF file Formula: - C11 H11 F6 N3 O4 S2 -
Comments: Lethesh, Kallidanthiyil Chellappan; Van Hecke, Kristof; Van Meervelt, Luc; Nockemann, Peter; Kirchner, Barbara; Zahn, Stefan; Parac-Vogt, Tatjana N; Dehaen, Wim; Binnemans, Koen Nitrile-functionalized pyridinium, pyrrolidinium, and piperidinium ionic liquids. The journal of physical chemistry. B 115(26) (2011) 8424-8438
Space group: P 1 21/c 1
Cell volume: 1626.4
Cell parameters: 8.255; 13.88; 14.205; 90; 92.159; 90;  

COD ID: 1501713
CIF file Formula: - C12 H13 F6 N3 O4 S2 -
Comments: Lethesh, Kallidanthiyil Chellappan; Van Hecke, Kristof; Van Meervelt, Luc; Nockemann, Peter; Kirchner, Barbara; Zahn, Stefan; Parac-Vogt, Tatjana N; Dehaen, Wim; Binnemans, Koen Nitrile-functionalized pyridinium, pyrrolidinium, and piperidinium ionic liquids. The journal of physical chemistry. B 115(26) (2011) 8424-8438
Space group: P 1 21/n 1
Cell volume: 1756.17
Cell parameters: 11.5159; 12.2778; 12.5068; 90; 96.726; 90;  

COD ID: 1501714
CIF file Formula: - C10 H9 F6 N3 O4 S2 -
Comments: Lethesh, Kallidanthiyil Chellappan; Van Hecke, Kristof; Van Meervelt, Luc; Nockemann, Peter; Kirchner, Barbara; Zahn, Stefan; Parac-Vogt, Tatjana N; Dehaen, Wim; Binnemans, Koen Nitrile-functionalized pyridinium, pyrrolidinium, and piperidinium ionic liquids. The journal of physical chemistry. B 115(26) (2011) 8424-8438
Space group: P 1 21/n 1
Cell volume: 1548.3
Cell parameters: 12.687; 8.186; 15.537; 90; 106.36; 90;  

COD ID: 1501715
CIF file Formula: - C11 H11 F6 N3 O4 S2 -
Comments: Lethesh, Kallidanthiyil Chellappan; Van Hecke, Kristof; Van Meervelt, Luc; Nockemann, Peter; Kirchner, Barbara; Zahn, Stefan; Parac-Vogt, Tatjana N; Dehaen, Wim; Binnemans, Koen Nitrile-functionalized pyridinium, pyrrolidinium, and piperidinium ionic liquids. The journal of physical chemistry. B 115(26) (2011) 8424-8438
Space group: P -1
Cell volume: 823.97
Cell parameters: 8.2118; 8.6844; 12.6209; 98.692; 104.289; 104.167;  

COD ID: 1501716
CIF file Formula: - C11 H11 F6 N3 O4 S2 -
Comments: Lethesh, Kallidanthiyil Chellappan; Van Hecke, Kristof; Van Meervelt, Luc; Nockemann, Peter; Kirchner, Barbara; Zahn, Stefan; Parac-Vogt, Tatjana N; Dehaen, Wim; Binnemans, Koen Nitrile-functionalized pyridinium, pyrrolidinium, and piperidinium ionic liquids. The journal of physical chemistry. B 115(26) (2011) 8424-8438
Space group: P -1
Cell volume: 1643.6
Cell parameters: 8.134; 12.4922; 17.291; 72.707; 80.807; 80.637;  

COD ID: 1501746
CIF file Formula: - C9 H40 F N15 O12 S3 -
Comments: Szafrański, Marek Crystal structures, phase transitions, and pressure-induced ferroelectricity in [C(NH2)3]5SO4(SO3-OC2H5)2F. The journal of physical chemistry. B 115(34) (2011) 10277-10284
Space group: P n a 21
Cell volume: 3005.6
Cell parameters: 20.353; 14.179; 10.415; 90; 90; 90;  

COD ID: 1501747
CIF file Formula: - C9 H40 F N15 O12 S3 -
Comments: Szafrański, Marek Crystal structures, phase transitions, and pressure-induced ferroelectricity in [C(NH2)3]5SO4(SO3-OC2H5)2F. The journal of physical chemistry. B 115(34) (2011) 10277-10284
Space group: P 21 21 21
Cell volume: 3044.7
Cell parameters: 10.517; 14.329; 20.204; 90; 90; 90;  

COD ID: 1501748
CIF file Formula: - C9 H40 F N15 O12 S3 -
Comments: Szafrański, Marek Crystal structures, phase transitions, and pressure-induced ferroelectricity in [C(NH2)3]5SO4(SO3-OC2H5)2F. The journal of physical chemistry. B 115(34) (2011) 10277-10284
Space group: P n m a
Cell volume: 3057.1
Cell parameters: 20.171; 10.563; 14.348; 90; 90; 90;  

COD ID: 1501749
CIF file Formula: - C9 H40 F N15 O12 S3 -
Comments: Szafrański, Marek Crystal structures, phase transitions, and pressure-induced ferroelectricity in [C(NH2)3]5SO4(SO3-OC2H5)2F. The journal of physical chemistry. B 115(34) (2011) 10277-10284
Space group: P n m a
Cell volume: 3073.7
Cell parameters: 20.272; 10.583; 14.327; 90; 90; 90;  

COD ID: 1501770
CIF file Formula: - C54 H80 N9 O12 -
Comments: Carlotto, Silvia; Zerbetto, Mirco; Shabestari, Maryam Hashemi; Moretto, Alessandro; Formaggio, Fernando; Crisma, Marco; Toniolo, Claudio; Huber, Martina; Polimeno, Antonino In silico interpretation of cw-ESR at 9 and 95 GHz of mono- and bis- TOAC-labeled Aib-homopeptides in fluid and frozen acetonitrile. The journal of physical chemistry. B 115(44) (2011) 13026-13036
Space group: P 1 21/c 1
Cell volume: 6037
Cell parameters: 16.086; 21.066; 18.104; 90; 100.27; 90;  

COD ID: 1501772
CIF file Formula: - C32 H50 Li O4 -
Comments: de la Viuda, Mónica; Yus, Miguel; Guijarro, Albert On the nature of lithium biphenyl in ethereal solvents. A critical analysis unifying DFT calculations, physicochemical data in solution, and a X-ray structure. The journal of physical chemistry. B 115(49) (2011) 14610-14616
Space group: C 1 2/c 1
Cell volume: 3061.2
Cell parameters: 19.191; 9.8248; 17.327; 90; 110.442; 90;  

COD ID: 1502677
CIF file Formula: - C24 H42 N2 O2 -
Comments: Corvis, Yohann; Négrier, Philippe; Lazerges, Mathieu; Massip, Stéphane; Léger, Jean-Michel; Espeau, Philippe Lidocaine/L-menthol binary system: cocrystallization versus solid-state immiscibility. The journal of physical chemistry. B 114(16) (2010) 5420-5426
Space group: P 21 21 21
Cell volume: 2495.3
Cell parameters: 8.4016; 13.4207; 22.13; 90; 90; 90;  

COD ID: 1502684
CIF file Formula: - C30 H21 Au Cl4 O2 -
Comments: Hwang, In-Chul; Heo, Sung Woo; Singh, N. Jiten; Lee, Jung Woo; Chun, Young; Baek, Seung Bin; Jin, Kyeong Sik; Ree, Moonhor; Lee, Hee Cheon; Kim, Seung Bin; Kim, Kwang S. Self-assembled thermally highly stable 1-dimensional proton arrays. The journal of physical chemistry. B 114(21) (2010) 7216-7221
Space group: P -1
Cell volume: 1290.32
Cell parameters: 7.5854; 10.1921; 17.4297; 100.583; 90.868; 102.642;  

COD ID: 1502685
CIF file Formula: - C110 H76 Cl4 Cu F6 N4 P -
Comments: Lockard, Jenny V.; Kabehie, Sanaz; Zink, Jeffrey I.; Smolentsev, Grigory; Soldatov, Alexander; Chen, Lin X. Influence of ligand substitution on excited state structural dynamics in Cu(I) bisphenanthroline complexes. The journal of physical chemistry. B 114(45) (2010) 14521-14527
Space group: C 1 2/c 1
Cell volume: 10114.5
Cell parameters: 24.538; 28.186; 18.9595; 90; 129.526; 90;  

COD ID: 1502686
CIF file Formula: - C10 H16 F12 N4 P2 -
Comments: Lee, Minjae; Niu, Zhenbin; Slebodnick, Carla; Gibson, Harry W. Structure and properties of N,N-alkylene bis(N'-alkylimidazolium) salts. The journal of physical chemistry. B 114(21) (2010) 7312-7319
Space group: C 1 2/c 1
Cell volume: 1745.8
Cell parameters: 22.186; 6.4852; 14.4065; 90; 122.621; 90;  

COD ID: 1502687
CIF file Formula: - C16 H28 F12 N4 P2 -
Comments: Lee, Minjae; Niu, Zhenbin; Slebodnick, Carla; Gibson, Harry W. Structure and properties of N,N-alkylene bis(N'-alkylimidazolium) salts. The journal of physical chemistry. B 114(21) (2010) 7312-7319
Space group: P -1
Cell volume: 605.07
Cell parameters: 6.5214; 6.9156; 13.8874; 97.336; 97.674; 99.448;  

COD ID: 1502692
CIF file Formula: - C126 H66 N8 Zn -
Comments: Yamada, Hiroko; Ohkubo, Kei; Kuzuhara, Daiki; Takahashi, Tetsuro; Sandanayaka, Atula S. D.; Okujima, Tetsuo; Ohara, Keishi; Ito, Osamu; Uno, Hidemitsu; Ono, Noboru; Fukuzumi, Shunichi Synthesis, crystal structure, and photodynamics of π-expanded porphyrin-fullerene dyads synthesized by Diels-Alder reaction. The journal of physical chemistry. B 114(45) (2010) 14717-14728
Space group: P -1
Cell volume: 4042.63
Cell parameters: 13.8831; 17.7009; 18.0031; 97.4088; 106.035; 103.607;  

COD ID: 1502693
CIF file Formula: - C27 H33 F6 N3 O13 P Ru3 -
Comments: Goeltz, John C.; Benson, Eric E.; Kubiak, Clifford P. Electronic structural effects in self-exchange reactions. The journal of physical chemistry. B 114(45) (2010) 14729-14734
Space group: P 1 21/n 1
Cell volume: 3725.1
Cell parameters: 21.33; 7.7725; 22.864; 90; 100.666; 90;  

COD ID: 1502694
CIF file Formula: - C34 H35 Cl9 N2 O14 Ru3 -
Comments: Goeltz, John C.; Benson, Eric E.; Kubiak, Clifford P. Electronic structural effects in self-exchange reactions. The journal of physical chemistry. B 114(45) (2010) 14729-14734
Space group: P 1 21/n 1
Cell volume: 4792
Cell parameters: 14.657; 18.3; 17.958; 90; 95.826; 90;  

COD ID: 1502695
CIF file Formula: - C24 H36 O8 -
Comments: Balomenou, Ioanna; Kaloudi-Chantzea, Antonia; Bokias, Georgios; Kallitsis, Joannis K.; Raptopoulou, Catherine P.; Terzis, Aris; Pistolis, George Medium effect on the geometric isomerism of a centrosymmetrically disubstituted naphthalene derivative with flexible methoxytriethylene glycol chains. The journal of physical chemistry. B 114(24) (2010) 8181-8190
Space group: P 1 21/a 1
Cell volume: 1205.93
Cell parameters: 8.6041; 7.8833; 18.1199; 90; 101.13; 90;  

COD ID: 1502700
CIF file Formula: - C9 H15 Li2 O6 Tl -
Comments: Martínez Casado, F J; Ramos Riesco, M.; da Silva, I.; Labrador, A.; Redondo, M. I.; García Pérez, M V; López-Andrés, S; Rodríguez Cheda, J A Thermal and structural study of the crystal phases and mesophases in the lithium and thallium(i) propanoates and pentanoates binary systems: formation of mixed salts and stabilization of the ionic liquid crystal phase. The journal of physical chemistry. B 114(31) (2010) 10075-10085
Space group: P 21 21 21
Cell volume: 1343.5
Cell parameters: 4.909; 11.892; 23.014; 90; 90; 90;  

COD ID: 1502701
CIF file Formula: - C3 H5 O2 Tl -
Comments: Martínez Casado, F J; Ramos Riesco, M.; da Silva, I.; Labrador, A.; Redondo, M. I.; García Pérez, M V; López-Andrés, S; Rodríguez Cheda, J A Thermal and structural study of the crystal phases and mesophases in the lithium and thallium(i) propanoates and pentanoates binary systems: formation of mixed salts and stabilization of the ionic liquid crystal phase. The journal of physical chemistry. B 114(31) (2010) 10075-10085
Space group: P c a 21
Cell volume: 1633.1
Cell parameters: 7.302; 10.636; 21.028; 90; 90; 90;  

COD ID: 1502702
CIF file Formula: - C15 Li2 O6 Tl -
Comments: Martínez Casado, F J; Ramos Riesco, M.; da Silva, I.; Labrador, A.; Redondo, M. I.; García Pérez, M V; López-Andrés, S; Rodríguez Cheda, J A Thermal and structural study of the crystal phases and mesophases in the lithium and thallium(i) propanoates and pentanoates binary systems: formation of mixed salts and stabilization of the ionic liquid crystal phase. The journal of physical chemistry. B 114(31) (2010) 10075-10085
Space group: P 1 21/c 1
Cell volume: 2002.1
Cell parameters: 4.92085; 12.03031; 33.8289; 90; 91.3425; 90;  

COD ID: 1502707
CIF file Formula: - C16 H100 Cl N O32 -
Comments: Rodionova, T.; Komarov, V.; Villevald, G.; Aladko, L.; Karpova, T.; Manakov, A. Calorimetric and structural studies of tetrabutylammonium chloride ionic clathrate hydrates. The journal of physical chemistry. B 114(36) (2010) 11838-11846
Space group: P 42/m
Cell volume: 6909.5
Cell parameters: 23.5711; 23.5711; 12.4361; 90; 90; 90;  

COD ID: 1502708
CIF file Formula: - C16 H100 Cl N O32 -
Comments: Rodionova, T.; Komarov, V.; Villevald, G.; Aladko, L.; Karpova, T.; Manakov, A. Calorimetric and structural studies of tetrabutylammonium chloride ionic clathrate hydrates. The journal of physical chemistry. B 114(36) (2010) 11838-11846
Space group: P 42/m
Cell volume: 6903.9
Cell parameters: 23.5818; 23.5818; 12.4148; 90; 90; 90;  

COD ID: 1502709
CIF file Formula: - C16 H96 Cl N O30 -
Comments: Rodionova, T.; Komarov, V.; Villevald, G.; Aladko, L.; Karpova, T.; Manakov, A. Calorimetric and structural studies of tetrabutylammonium chloride ionic clathrate hydrates. The journal of physical chemistry. B 114(36) (2010) 11838-11846
Space group: P 42/m
Cell volume: 6908.9
Cell parameters: 23.5211; 23.5211; 12.488; 90; 90; 90;  

COD ID: 1502710
CIF file Formula: - C16 H96 Cl N O30 -
Comments: Rodionova, T.; Komarov, V.; Villevald, G.; Aladko, L.; Karpova, T.; Manakov, A. Calorimetric and structural studies of tetrabutylammonium chloride ionic clathrate hydrates. The journal of physical chemistry. B 114(36) (2010) 11838-11846
Space group: P 42/m
Cell volume: 6912
Cell parameters: 23.488; 23.488; 12.529; 90; 90; 90;  

COD ID: 1502715
CIF file Formula: - C54 H70 Cl4 Cu2 N12 O23 -
Comments: Hirva, Pipsa; Nielsen, Anne; Bond, Andrew D.; McKenzie, Christine J. Potential cross-linking transition metal complexes (M = Ni, Cu, Zn) in the ligand-modified LNA duplexes. The journal of physical chemistry. B 114(36) (2010) 11942-11948
Space group: C 1 2 1
Cell volume: 6436
Cell parameters: 35.166; 8.308; 22.479; 90; 101.477; 90;  

COD ID: 1502716
CIF file Formula: - C32 H38 Cl4 Cu2 N6 O12 -
Comments: Hirva, Pipsa; Nielsen, Anne; Bond, Andrew D.; McKenzie, Christine J. Potential cross-linking transition metal complexes (M = Ni, Cu, Zn) in the ligand-modified LNA duplexes. The journal of physical chemistry. B 114(36) (2010) 11942-11948
Space group: P 1 21/c 1
Cell volume: 1918.11
Cell parameters: 8.0644; 19.3905; 12.439; 90; 99.56; 90;  

COD ID: 1502717
CIF file Formula: - C33 H42 Cl4 Cu2 N6 O13 -
Comments: Hirva, Pipsa; Nielsen, Anne; Bond, Andrew D.; McKenzie, Christine J. Potential cross-linking transition metal complexes (M = Ni, Cu, Zn) in the ligand-modified LNA duplexes. The journal of physical chemistry. B 114(36) (2010) 11942-11948
Space group: P 1 21/c 1
Cell volume: 4119.1
Cell parameters: 7.9762; 19.5479; 26.4798; 90; 93.901; 90;  

COD ID: 1502718
CIF file Formula: - C98.7 H140 O96.95 -
Comments: Guerrero-Martínez, Andrés; Avila, David; Martínez-Casado, Francisco J; Ripmeester, John A.; Enright, Gary D.; De Cola, Luisa; Tardajos, Gloria Solid crystal network of self-assembled cyclodextrin and nonionic surfactant pseudorotaxanes. The journal of physical chemistry. B 114(35) (2010) 11489-11495
Space group: P 1
Cell volume: 3380.1
Cell parameters: 15.419; 15.464; 15.612; 102.72; 102.012; 104.309;  

COD ID: 1502731
CIF file Formula: - C14 H18 N4 O10 S -
Comments: Stevens, Joanna S.; Byard, Stephen J.; Muryn, Christopher A.; Schroeder, Sven L. M. Identification of protonation state by XPS, solid-state NMR, and DFT: characterization of the nature of a new theophylline complex by experimental and computational methods. The journal of physical chemistry. B 114(44) (2010) 13961-13969
Space group: P 1 21/c 1
Cell volume: 1806
Cell parameters: 9.2829; 6.2367; 31.336; 90; 95.449; 90;  

COD ID: 1502747
CIF file Formula: - C15 H15 N3 O4 -
Comments: Ghosh, Kumaresh; Sen, Tanushree; Fröhlich, Roland; Petsalakis, Ioannis D.; Theodorakopoulos, Giannoula trans-Pyridyl and naphthyridyl cinnamides as alternatives for urea in complexation of carboxylic acid and formation of water-templated assemblies in the solid state. The journal of physical chemistry. B 114(1) (2010) 321-329
Space group: P -1
Cell volume: 722.127
Cell parameters: 7.0295; 8.7268; 12.5523; 73.754; 81.99; 78.751;  

COD ID: 1502748
CIF file Formula: - C18 H17 N3 O2 -
Comments: Ghosh, Kumaresh; Sen, Tanushree; Fröhlich, Roland; Petsalakis, Ioannis D.; Theodorakopoulos, Giannoula trans-Pyridyl and naphthyridyl cinnamides as alternatives for urea in complexation of carboxylic acid and formation of water-templated assemblies in the solid state. The journal of physical chemistry. B 114(1) (2010) 321-329
Space group: P 1 21/c 1
Cell volume: 1547.83
Cell parameters: 12.7765; 18.7383; 6.5565; 90; 99.574; 90;  

COD ID: 1502749
CIF file Formula: - C24 H22 N2 O3 -
Comments: Ghosh, Kumaresh; Sen, Tanushree; Fröhlich, Roland; Petsalakis, Ioannis D.; Theodorakopoulos, Giannoula trans-Pyridyl and naphthyridyl cinnamides as alternatives for urea in complexation of carboxylic acid and formation of water-templated assemblies in the solid state. The journal of physical chemistry. B 114(1) (2010) 321-329
Space group: P 1 21/c 1
Cell volume: 2058.3
Cell parameters: 13.345; 14.802; 10.621; 90; 101.17; 90;  

COD ID: 1502750
CIF file Formula: - C18 H14 F6 N2 O7 S6 -
Comments: Zhu, Qin-Yu; Huo, Li-Bin; Qin, Yu-Rong; Zhang, Ya-Ping; Lu, Zhe-Jun; Wang, Jin-Po; Dai, Jie Triadic intramolecular charge transfer compound of tetrathiafulvalene exhibiting multicolor solvatochromism. The journal of physical chemistry. B 114(1) (2010) 361-367
Space group: C 1 2/c 1
Cell volume: 2533.5
Cell parameters: 21.027; 5.4802; 23.594; 90; 111.274; 90;  

COD ID: 1502754
CIF file Formula: - C8 H2 I2 S3 -
Comments: Sánchez-Carrera, Roel S; Odom, Susan A.; Kinnibrugh, Tiffany L.; Sajoto, Tissa; Kim, Eung-Gun; Timofeeva, Tatiana V.; Barlow, Stephen; Coropceanu, Veaceslav; Marder, Seth R.; Brédas, Jean-Luc Electronic properties of the 2,6-diiododithieno[3,2-b:2',3'-d]thiophene molecule and crystal: a joint experimental and theoretical study. The journal of physical chemistry. B 114(2) (2010) 749-755
Space group: P 1 21/n 1
Cell volume: 1081.9
Cell parameters: 13.223; 4.161; 19.785; 90; 96.339; 90;  

COD ID: 1502755
CIF file Formula: - C22 H14 N4 O2 -
Comments: Yang, Chih-Chiang; Hsu, Chia-Jung; Chou, Pi-Tai; Cheng, Hsu Chun; Su, Yuhlong Oliver; Leung, Man-kit Excited state luminescence of multi-(5-phenyl-1,3,4-oxadiazo-2-yl)benzenes in an electron-donating matrix: exciplex or electroplex? The journal of physical chemistry. B 114(2) (2010) 756-768
Space group: P -1
Cell volume: 935.09
Cell parameters: 8.7992; 8.8626; 13.2711; 101.683; 91.357; 111.848;  

COD ID: 1502756
CIF file Formula: - C22 H14 N4 O2 -
Comments: Yang, Chih-Chiang; Hsu, Chia-Jung; Chou, Pi-Tai; Cheng, Hsu Chun; Su, Yuhlong Oliver; Leung, Man-kit Excited state luminescence of multi-(5-phenyl-1,3,4-oxadiazo-2-yl)benzenes in an electron-donating matrix: exciplex or electroplex? The journal of physical chemistry. B 114(2) (2010) 756-768
Space group: P 21 21 21
Cell volume: 1776.24
Cell parameters: 5.404; 16.068; 20.4562; 90; 90; 90;  

COD ID: 1502759
CIF file Formula: - C15 H16 O2 S -
Comments: Usman, Anwar; Asahi, Tsuyoshi; Sugiyama, Teruki; Masuhara, Hiroshi; Tohnai, Norimitsu; Miyata, Mikiji Photochemical reaction of p-hydroxycinnamic-thiophenyl ester in the microcrystalline state. The journal of physical chemistry. B 114(45) (2010) 14233-14240
Space group: P 1 21/n 1
Cell volume: 2558.47
Cell parameters: 16.5638; 7.514; 20.8421; 90; 99.4965; 90;  

COD ID: 1502763
CIF file Formula: - C22 H23 Cl2 N3 O3 -
Comments: Das, Amrita; Jana, Atish Dipankar; Seth, Saikat Kumar; Dey, Biswajit; Choudhury, Somnath Ray; Kar, Tanusree; Mukhopadhyay, Subrata; Singh, N. Jiten; Hwang, In-Chul; Kim, Kwang S. Intriguing pi(+)-pi Interaction in crystal packing. The journal of physical chemistry. B 114(12) (2010) 4166-4170
Space group: P -1
Cell volume: 1081.7
Cell parameters: 8.239; 11.075; 13.52; 103.205; 106.017; 105.297;  

COD ID: 1502764
CIF file Formula: - C22 H23 Br2 N3 O3 -
Comments: Das, Amrita; Jana, Atish Dipankar; Seth, Saikat Kumar; Dey, Biswajit; Choudhury, Somnath Ray; Kar, Tanusree; Mukhopadhyay, Subrata; Singh, N. Jiten; Hwang, In-Chul; Kim, Kwang S. Intriguing pi(+)-pi Interaction in crystal packing. The journal of physical chemistry. B 114(12) (2010) 4166-4170
Space group: P -1
Cell volume: 1122.6
Cell parameters: 8.2416; 11.2464; 13.9496; 104.279; 106.169; 105.466;  

COD ID: 1502765
CIF file Formula: - C40 H28 O2 -
Comments: Wang, Weizhi; Lin, Tingting; Wang, Min; Liu, Tian-Xi; Ren, Lulu; Chen, Dan; Huang, Shu Aggregation emission properties of oligomers based on tetraphenylethylene. The journal of physical chemistry. B 114(18) (2010) 5983-5988
Space group: C 1 2/c 1
Cell volume: 2911.6
Cell parameters: 16.698; 10.5516; 16.706; 90; 98.437; 90;  

COD ID: 1502766
CIF file Formula: - C54 H36 O4 -
Comments: Wang, Weizhi; Lin, Tingting; Wang, Min; Liu, Tian-Xi; Ren, Lulu; Chen, Dan; Huang, Shu Aggregation emission properties of oligomers based on tetraphenylethylene. The journal of physical chemistry. B 114(18) (2010) 5983-5988
Space group: P -1
Cell volume: 2006.26
Cell parameters: 10.9819; 12.2293; 15.9624; 78.216; 85.799; 72.961;  

COD ID: 1502768
CIF file Formula: - C26 H36 Cl2 Mg N8 O18 -
Comments: Das, Amrita; Choudhury, Somnath Ray; Dey, Biswajit; Yalamanchili, Sampath Kumar; Helliwell, Madeleine; Gamez, Patrick; Mukhopadhyay, Subrata; Estarellas, Carolina; Frontera, Antonio Supramolecular assembly of Mg(II) complexes directed by associative lone pair-pi/pi-pi/pi-anion-pi/pi-lone pair interactions. The journal of physical chemistry. B 114(15) (2010) 4998-5009
Space group: P -1
Cell volume: 883.52
Cell parameters: 7.146; 11.1812; 11.602; 88.373; 81.837; 74.342;  

COD ID: 1502769
CIF file Formula: - C18 H34 Mg N4 O14 -
Comments: Das, Amrita; Choudhury, Somnath Ray; Dey, Biswajit; Yalamanchili, Sampath Kumar; Helliwell, Madeleine; Gamez, Patrick; Mukhopadhyay, Subrata; Estarellas, Carolina; Frontera, Antonio Supramolecular assembly of Mg(II) complexes directed by associative lone pair-pi/pi-pi/pi-anion-pi/pi-lone pair interactions. The journal of physical chemistry. B 114(15) (2010) 4998-5009
Space group: P -1
Cell volume: 654.9
Cell parameters: 7.534; 9.052; 10.428; 93.37; 93.118; 112.237;  

COD ID: 1504348
CIF file Formula: - C2 H4 Cl2 -
Comments: Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej 1,1-Dichloroethane: a molecular crystal structure without van der Waals contacts? The journal of physical chemistry. B 112(4) (2008) 1184-1188
Space group: P n m a
Cell volume: 423.62
Cell parameters: 7.7446; 9.3368; 5.8584; 90; 90; 90;  

COD ID: 1504349
CIF file Formula: - C2 H4 Cl2 -
Comments: Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej 1,1-Dichloroethane: a molecular crystal structure without van der Waals contacts? The journal of physical chemistry. B 112(4) (2008) 1184-1188
Space group: P n m a
Cell volume: 435.72
Cell parameters: 7.8716; 9.404; 5.8862; 90; 90; 90;  

COD ID: 1504350
CIF file Formula: - C2 H4 Cl2 -
Comments: Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej 1,1-Dichloroethane: a molecular crystal structure without van der Waals contacts? The journal of physical chemistry. B 112(4) (2008) 1184-1188
Space group: P n m a
Cell volume: 396.5
Cell parameters: 7.5572; 9.1829; 5.713; 90; 90; 90;  

COD ID: 1504351
CIF file Formula: - C2 H4 Cl2 -
Comments: Bujak, Maciej; Podsiadło, Marcin; Katrusiak, Andrzej 1,1-Dichloroethane: a molecular crystal structure without van der Waals contacts? The journal of physical chemistry. B 112(4) (2008) 1184-1188
Space group: P n m a
Cell volume: 377.85
Cell parameters: 7.3833; 9.0641; 5.6461; 90; 90; 90;  

COD ID: 1504355
CIF file Formula: - C8 H11 F6 Li N2 O6 S2 -
Comments: Burba, Christopher M.; Rocher, Nathalie M.; Frech, Roger; Powell, Douglas R. Cation-anion interactions in 1-ethyl-3-methylimidazolium trifluoromethanesulfonate-based ionic liquid electrolytes. The journal of physical chemistry. B 112(10) (2008) 2991-2995
Space group: P 1 21/c 1
Cell volume: 1602.5
Cell parameters: 10.105; 18.676; 8.512; 90; 94.012; 90;  

COD ID: 1504357
CIF file Formula: - C5 H10 -
Comments: Torrisi, Antonio; Leech, Charlotte K.; Shankland, Kenneth; David, William I. F.; Ibberson, Richard M.; Benet-Buchholz, Jordi; Boese, Roland; Leslie, Maurice; Catlow, C Richard A; Price, Sarah L. Solid phases of cyclopentane: combined experimental and simulation study. The journal of physical chemistry. B 112(12) (2008) 3746-3758
Space group: P 1 21/c 1
Cell volume: 470.2
Cell parameters: 9.578; 5.328; 10.018; 90; 113.12; 90;  

COD ID: 1504378
CIF file Formula: - C H2 Cl I -
Comments: Podsiadło, Marcin; Katrusiak, Andrzej Competing patterns of weak directional forces in pressure-frozen CH2ClI and CH2I2. The journal of physical chemistry. B 112(17) (2008) 5355-5362
Space group: P n m a
Cell volume: 360.19
Cell parameters: 6.315; 6.5616; 8.6926; 90; 90; 90;  

COD ID: 1504379
CIF file Formula: - C H2 Cl I -
Comments: Podsiadło, Marcin; Katrusiak, Andrzej Competing patterns of weak directional forces in pressure-frozen CH2ClI and CH2I2. The journal of physical chemistry. B 112(17) (2008) 5355-5362
Space group: P n m a
Cell volume: 355.48
Cell parameters: 6.3026; 6.5131; 8.6599; 90; 90; 90;  

COD ID: 1504380
CIF file Formula: - C H2 Cl I -
Comments: Podsiadło, Marcin; Katrusiak, Andrzej Competing patterns of weak directional forces in pressure-frozen CH2ClI and CH2I2. The journal of physical chemistry. B 112(17) (2008) 5355-5362
Space group: P n m a
Cell volume: 335.44
Cell parameters: 6.2105; 6.3402; 8.5189; 90; 90; 90;  

COD ID: 1504381
CIF file Formula: - C H2 I2 -
Comments: Podsiadło, Marcin; Katrusiak, Andrzej Competing patterns of weak directional forces in pressure-frozen CH2ClI and CH2I2. The journal of physical chemistry. B 112(17) (2008) 5355-5362
Space group: F m m 2
Cell volume: 435.19
Cell parameters: 7.1819; 12.912; 4.693; 90; 90; 90;  

COD ID: 1504382
CIF file Formula: - C H2 I2 -
Comments: Podsiadło, Marcin; Katrusiak, Andrzej Competing patterns of weak directional forces in pressure-frozen CH2ClI and CH2I2. The journal of physical chemistry. B 112(17) (2008) 5355-5362
Space group: F m m 2
Cell volume: 398.34
Cell parameters: 6.9208; 12.695; 4.5338; 90; 90; 90;  

COD ID: 1504383
CIF file Formula: - C2 H3 N -
Comments: Olejniczak, Anna; Katrusiak, Andrzej Supramolecular reaction between pressure-frozen acetonitrile phases alpha and beta. The journal of physical chemistry. B 112(24) (2008) 7183-7190
Space group: P 1 21/c 1
Cell volume: 249.97
Cell parameters: 3.9838; 8.1352; 7.8165; 90; 99.33; 90;  

COD ID: 1504384
CIF file Formula: - C2 H3 N -
Comments: Olejniczak, Anna; Katrusiak, Andrzej Supramolecular reaction between pressure-frozen acetonitrile phases alpha and beta. The journal of physical chemistry. B 112(24) (2008) 7183-7190
Space group: C m c 21
Cell volume: 247.08
Cell parameters: 6.0717; 5.2319; 7.7779; 90; 90; 90;  

COD ID: 1504385
CIF file Formula: - C2 H3 N -
Comments: Olejniczak, Anna; Katrusiak, Andrzej Supramolecular reaction between pressure-frozen acetonitrile phases alpha and beta. The journal of physical chemistry. B 112(24) (2008) 7183-7190
Space group: C m c 21
Cell volume: 224.2
Cell parameters: 5.833; 5.082; 7.563; 90; 90; 90;  

COD ID: 1504386
CIF file Formula: - C6 H9 N3 -
Comments: Olejniczak, Anna; Katrusiak, Andrzej Supramolecular reaction between pressure-frozen acetonitrile phases alpha and beta. The journal of physical chemistry. B 112(24) (2008) 7183-7190
Space group: P 1 21/n 1
Cell volume: 686.6
Cell parameters: 7.489; 7.882; 11.793; 90; 99.48; 90;  

COD ID: 1504389
CIF file Formula: - C12 H22 O11 -
Comments: Nagase, H.; Ogawa, N.; Endo, T.; Shiro, M.; Ueda, H.; Sakurai, M. Crystal structure of an anhydrous form of trehalose: structure of water channels of trehalose polymorphism. The journal of physical chemistry. B 112(30) (2008) 9105-9111
Space group: P 21 21 21
Cell volume: 1470.6
Cell parameters: 6.7999; 11.638; 18.583; 90; 90; 90;  

COD ID: 1504390
CIF file Formula: - C12 H26 O13 -
Comments: Nagase, H.; Ogawa, N.; Endo, T.; Shiro, M.; Ueda, H.; Sakurai, M. Crystal structure of an anhydrous form of trehalose: structure of water channels of trehalose polymorphism. The journal of physical chemistry. B 112(30) (2008) 9105-9111
Space group: P 21 21 21
Cell volume: 1662
Cell parameters: 7.5969; 12.2305; 17.887; 90; 90; 90;  

COD ID: 1504394
CIF file Formula: - C H Cl3 -
Comments: Dziubek, Kamil F.; Katrusiak, Andrzej Polar symmetry in new high-pressure phases of chloroform and bromoform. The journal of physical chemistry. B 112(38) (2008) 12001-12009
Space group: P n m a
Cell volume: 400.8
Cell parameters: 7.4081; 9.4034; 5.754; 90; 90; 90;  

COD ID: 1504395
CIF file Formula: - C H Cl3 -
Comments: Dziubek, Kamil F.; Katrusiak, Andrzej Polar symmetry in new high-pressure phases of chloroform and bromoform. The journal of physical chemistry. B 112(38) (2008) 12001-12009
Space group: P 63
Cell volume: 199.7
Cell parameters: 5.8868; 5.8868; 6.6541; 90; 90; 120;  

COD ID: 1504396
CIF file Formula: - C H Br3 -
Comments: Dziubek, Kamil F.; Katrusiak, Andrzej Polar symmetry in new high-pressure phases of chloroform and bromoform. The journal of physical chemistry. B 112(38) (2008) 12001-12009
Space group: P 63
Cell volume: 252.2
Cell parameters: 6.3229; 6.3229; 7.285; 90; 90; 120;  

COD ID: 1504397
CIF file Formula: - C H Br3 -
Comments: Dziubek, Kamil F.; Katrusiak, Andrzej Polar symmetry in new high-pressure phases of chloroform and bromoform. The journal of physical chemistry. B 112(38) (2008) 12001-12009
Space group: P 63
Cell volume: 246.7
Cell parameters: 6.3119; 6.3119; 7.151; 90; 90; 120;  

COD ID: 1504398
CIF file Formula: - C32 H27 Cl3 Mn3 N3 O12 S -
Comments: Moro, F.; Corradini, V.; Evangelisti, M.; De Renzi, V.; Biagi, R.; del Pennino, U.; Milios, C. J.; Jones, L. F.; Brechin, E. K. Grafting derivatives of Mn6 single-molecule magnets with high anisotropy energy barrier on Au111 surface. The journal of physical chemistry. B 112(32) (2008) 9729-9735
Space group: P -1
Cell volume: 1863.9
Cell parameters: 11.5076; 13.8717; 14.1965; 117.336; 90.196; 109.517;  

COD ID: 1504399
CIF file Formula: - C85 H109 Mn6 N7 O26 S2 -
Comments: Moro, F.; Corradini, V.; Evangelisti, M.; De Renzi, V.; Biagi, R.; del Pennino, U.; Milios, C. J.; Jones, L. F.; Brechin, E. K. Grafting derivatives of Mn6 single-molecule magnets with high anisotropy energy barrier on Au111 surface. The journal of physical chemistry. B 112(32) (2008) 9729-9735
Space group: P -1
Cell volume: 2422.07
Cell parameters: 12.8647; 13.1373; 16.1689; 92.116; 101.617; 114.076;  

COD ID: 1505061
CIF file Formula: - C9 H18 N2 O5 S -
Comments: Nockemann, Peter; Thijs, Ben; Driesen, Kris; Janssen, Colin R.; Van Hecke, Kristof; Van Meervelt, Luc; Kossmann, Simone; Kirchner, Barbara; Binnemans, Koen Choline saccharinate and choline acesulfamate: ionic liquids with low toxicities. The journal of physical chemistry. B 111(19) (2007) 5254-5263
Space group: P 1 21/n 1
Cell volume: 1260.86
Cell parameters: 7.1338; 14.2416; 12.8338; 90; 104.758; 90;  

COD ID: 1505062
CIF file Formula: - C12 H18 N2 O4 S -
Comments: Nockemann, Peter; Thijs, Ben; Driesen, Kris; Janssen, Colin R.; Van Hecke, Kristof; Van Meervelt, Luc; Kossmann, Simone; Kirchner, Barbara; Binnemans, Koen Choline saccharinate and choline acesulfamate: ionic liquids with low toxicities. The journal of physical chemistry. B 111(19) (2007) 5254-5263
Space group: P b c a
Cell volume: 2754.3
Cell parameters: 25.654; 10.4439; 10.2801; 90; 90; 90;  

COD ID: 1505064
CIF file Formula: - C42 H54 Cl6 N2 O2 -
Comments: Wang, Jia; Zhao, Yunfeng; Dou, Chuandong; Sun, Hui; Xu, Peng; Ye, Kaiqi; Zhang, Jingying; Jiang, Shimei; Li, Fei; Wang, Yue Alkyl and dendron substituted quinacridones: synthesis, structures, and luminescent properties. The journal of physical chemistry. B 111(19) (2007) 5082-5089
Space group: P 1 21/c 1
Cell volume: 2197.17
Cell parameters: 5.6794; 18.1714; 21.4441; 90; 96.877; 90;  

COD ID: 1505066
CIF file Formula: - C25 H14 Cl4 N2 O10 -
Comments: Sun, Duoli; Rosokha, Sergiy V.; Kochi, Jay K. Reversible interchange of charge-transfer versus electron-transfer states in organic electron transfer via cross-exchanges between diamagnetic (donor/acceptor) dyads. The journal of physical chemistry. B 111(24) (2007) 6655-6666
Space group: P -1
Cell volume: 1263
Cell parameters: 10.241; 10.262; 12.302; 96.838; 94.763; 98.469;  

COD ID: 1505067
CIF file Formula: - C22 H21 Cl N O7 -
Comments: Sun, Duoli; Rosokha, Sergiy V.; Kochi, Jay K. Reversible interchange of charge-transfer versus electron-transfer states in organic electron transfer via cross-exchanges between diamagnetic (donor/acceptor) dyads. The journal of physical chemistry. B 111(24) (2007) 6655-6666
Space group: P -1
Cell volume: 1041.6
Cell parameters: 10.188; 10.745; 10.888; 72.261; 66.57; 83.284;  

COD ID: 1505068
CIF file Formula: - C21 H16 Cl4 N2 O6 -
Comments: Sun, Duoli; Rosokha, Sergiy V.; Kochi, Jay K. Reversible interchange of charge-transfer versus electron-transfer states in organic electron transfer via cross-exchanges between diamagnetic (donor/acceptor) dyads. The journal of physical chemistry. B 111(24) (2007) 6655-6666
Space group: P -1
Cell volume: 1158.7
Cell parameters: 10.422; 10.711; 10.787; 87.701; 74.392; 89.976;  

COD ID: 1505069
CIF file Formula: - C8 H6 O4 -
Comments: Sun, Duoli; Rosokha, Sergiy V.; Kochi, Jay K. Reversible interchange of charge-transfer versus electron-transfer states in organic electron transfer via cross-exchanges between diamagnetic (donor/acceptor) dyads. The journal of physical chemistry. B 111(24) (2007) 6655-6666
Space group: P 1 21/n 1
Cell volume: 342.76
Cell parameters: 6.5845; 5.2356; 9.99; 90; 95.582; 90;  

COD ID: 1505070
CIF file Formula: - C8 H6 Cl6 O4 Sb -
Comments: Sun, Duoli; Rosokha, Sergiy V.; Kochi, Jay K. Reversible interchange of charge-transfer versus electron-transfer states in organic electron transfer via cross-exchanges between diamagnetic (donor/acceptor) dyads. The journal of physical chemistry. B 111(24) (2007) 6655-6666
Space group: P -1
Cell volume: 584.1
Cell parameters: 7.982; 7.9976; 10.609; 96.96; 107.75; 110.499;  

COD ID: 1505071
CIF file Formula: - C12 H14 O4 -
Comments: Sun, Duoli; Rosokha, Sergiy V.; Kochi, Jay K. Reversible interchange of charge-transfer versus electron-transfer states in organic electron transfer via cross-exchanges between diamagnetic (donor/acceptor) dyads. The journal of physical chemistry. B 111(24) (2007) 6655-6666
Space group: P -1
Cell volume: 287.6
Cell parameters: 5.8509; 6.7912; 7.6199; 75.221; 85.481; 79.402;  

COD ID: 1505072
CIF file Formula: - C19 H22 Cl6 N0 O4 Sb -
Comments: Sun, Duoli; Rosokha, Sergiy V.; Kochi, Jay K. Reversible interchange of charge-transfer versus electron-transfer states in organic electron transfer via cross-exchanges between diamagnetic (donor/acceptor) dyads. The journal of physical chemistry. B 111(24) (2007) 6655-6666
Space group: P -1
Cell volume: 1423
Cell parameters: 7.8863; 14.082; 14.387; 113.899; 101.326; 91.302;  

COD ID: 1505073
CIF file Formula: - C16 H16 N6 -
Comments: Sun, Duoli; Rosokha, Sergiy V.; Kochi, Jay K. Reversible interchange of charge-transfer versus electron-transfer states in organic electron transfer via cross-exchanges between diamagnetic (donor/acceptor) dyads. The journal of physical chemistry. B 111(24) (2007) 6655-6666
Space group: P 1 21/n 1
Cell volume: 1490
Cell parameters: 10.448; 8.208; 17.462; 90; 95.726; 90;  

COD ID: 1505078
CIF file Formula: - C H11 B10 P -
Comments: Balaz, Snjezana; Caruso, A. N.; Platt, N. P.; Dimov, D. I.; Boag, N. M.; Brand, J. I.; Losovyj, Ya B.; Dowben, P. A. The influence of the molecular dipole on the electronic structure of isomeric icosahedral dicarbadodecaborane and phosphacarbadodecaborane molecular films. The journal of physical chemistry. B 111(25) (2007) 7009-7016
Space group: P a -3
Cell volume: 924.5
Cell parameters: 9.7418; 9.7418; 9.7418; 90; 90; 90;  

COD ID: 1505080
CIF file Formula: - C3 H21.33 O8.67 -
Comments: Udachin, Konstantin A.; Ratcliffe, Christopher I.; Ripmeester, John A. Structure, dynamics and ordering in structure i ether clathrate hydrates from single-crystal X-ray diffraction and 2H NMR spectroscopy. The journal of physical chemistry. B 111(39) (2007) 11366-11372
Space group: P m -3 n
Cell volume: 1758
Cell parameters: 12.069; 12.069; 12.069; 90; 90; 90;  

COD ID: 1505081
CIF file Formula: - C2.28 H19.9 O8.81 -
Comments: Udachin, Konstantin A.; Ratcliffe, Christopher I.; Ripmeester, John A. Structure, dynamics and ordering in structure i ether clathrate hydrates from single-crystal X-ray diffraction and 2H NMR spectroscopy. The journal of physical chemistry. B 111(39) (2007) 11366-11372
Space group: P m -3 n
Cell volume: 1704.5
Cell parameters: 11.9454; 11.9454; 11.9454; 90; 90; 90;  

COD ID: 1505085
CIF file Formula: - C28 H24 O2 -
Comments: Tong, Hui; Hong, Yuning; Dong, Yongqiang; Häussler, Matthias; Li, Zhen; Lam, Jacky W. Y.; Dong, Yuping; Sung, Herman H.-Y.; Williams, Ian D.; Tang, Ben Zhong Protein detection and quantitation by tetraphenylethene-based fluorescent probes with aggregation-induced emission characteristics. The journal of physical chemistry. B 111(40) (2007) 11817-11823
Space group: P 1 21 1
Cell volume: 1045.6
Cell parameters: 9.6751; 10.2214; 10.6522; 90; 96.993; 90;  

COD ID: 1505086
CIF file Formula: - C7 H18 Cl2 N2 -
Comments: Regler, Brian P.; Emge, Thomas J.; Elliott, James J.; Sauers, Ronald R.; Potenza, Joseph A.; Romsted, Laurence S. Structural, infrared, and density functional theory studies of N,N,N',N'-Tetramethylimidazolidinium dichloride: a model for cation-anion association of headgroups and counterions in the interfacial regions of gemini micelles. The journal of physical chemistry. B 111(49) (2007) 13668-13674
Space group: P 1 21/c 1
Cell volume: 1036.81
Cell parameters: 8.1775; 11.2472; 11.474; 90; 100.745; 90;  

COD ID: 1505087
CIF file Formula: - C6 H11 I N2 O -
Comments: Fei, Zhaofu; Ang, Wee Han; Zhao, Dongbin; Scopelliti, Rosario; Zvereva, Elena E.; Katsyuba, Sergey A.; Dyson, Paul J. Revisiting ether-derivatized imidazolium-based ionic liquids. The journal of physical chemistry. B 111(34) (2007) 10095-10108
Space group: P 1 21/n 1
Cell volume: 940.13
Cell parameters: 8.3743; 12.0821; 9.6014; 90; 104.59; 90;  

COD ID: 1505088
CIF file Formula: - C7 H13 I N2 O -
Comments: Fei, Zhaofu; Ang, Wee Han; Zhao, Dongbin; Scopelliti, Rosario; Zvereva, Elena E.; Katsyuba, Sergey A.; Dyson, Paul J. Revisiting ether-derivatized imidazolium-based ionic liquids. The journal of physical chemistry. B 111(34) (2007) 10095-10108
Space group: P 1 21/n 1
Cell volume: 2090.46
Cell parameters: 9.4059; 16.3399; 13.6066; 90; 91.547; 90;  

COD ID: 1505089
CIF file Formula: - C7 H13 I N2 O -
Comments: Fei, Zhaofu; Ang, Wee Han; Zhao, Dongbin; Scopelliti, Rosario; Zvereva, Elena E.; Katsyuba, Sergey A.; Dyson, Paul J. Revisiting ether-derivatized imidazolium-based ionic liquids. The journal of physical chemistry. B 111(34) (2007) 10095-10108
Space group: P c a 21
Cell volume: 4114.2
Cell parameters: 15.2411; 8.2598; 32.681; 90; 90; 90;  

COD ID: 1505090
CIF file Formula: - C8 H15 I N2 O2 -
Comments: Fei, Zhaofu; Ang, Wee Han; Zhao, Dongbin; Scopelliti, Rosario; Zvereva, Elena E.; Katsyuba, Sergey A.; Dyson, Paul J. Revisiting ether-derivatized imidazolium-based ionic liquids. The journal of physical chemistry. B 111(34) (2007) 10095-10108
Space group: P 1 21/n 1
Cell volume: 1139.65
Cell parameters: 9.5223; 8.0828; 15.406; 90; 106.029; 90;  

COD ID: 1505091
CIF file Formula: - C9 H17 Br N2 O2 -
Comments: Fei, Zhaofu; Ang, Wee Han; Zhao, Dongbin; Scopelliti, Rosario; Zvereva, Elena E.; Katsyuba, Sergey A.; Dyson, Paul J. Revisiting ether-derivatized imidazolium-based ionic liquids. The journal of physical chemistry. B 111(34) (2007) 10095-10108
Space group: P 1 21/c 1
Cell volume: 1195.5
Cell parameters: 7.155; 14.609; 11.88; 90; 105.698; 90;  

COD ID: 1505092
CIF file Formula: - C9 H17 I N2 O2 -
Comments: Fei, Zhaofu; Ang, Wee Han; Zhao, Dongbin; Scopelliti, Rosario; Zvereva, Elena E.; Katsyuba, Sergey A.; Dyson, Paul J. Revisiting ether-derivatized imidazolium-based ionic liquids. The journal of physical chemistry. B 111(34) (2007) 10095-10108
Space group: P 1 21/n 1
Cell volume: 1237.4
Cell parameters: 9.7948; 13.0859; 9.9372; 90; 103.711; 90;  

COD ID: 1505102
CIF file Formula: - C12 H8 N2 S2 -
Comments: Dufresne, Stéphane; Hanan, Garry S.; Skene, W. G. Preparation, photophysics, and electrochemistry of segmented comonomers consisting of thiophene and pyrimidine units: new monomers for hybrid copolymers. The journal of physical chemistry. B 111(39) (2007) 11407-11418
Space group: P 1 21/c 1
Cell volume: 2237.9
Cell parameters: 19.194; 11.297; 10.366; 90; 95.35; 90;  

COD ID: 1505104
CIF file Formula: - C12 H29 N O49 Si24 -
Comments: Schmidt, Wolfgang; Wilczok, Ursula; Weidenthaler, Claudia; Medenbach, Olaf; Goddard, Richard; Buth, Gernot; Cepak, Alexander Preparation and morphology of pyramidal MFI single-crystal segments. The journal of physical chemistry. B 111(48) (2007) 13538-13543
Space group: P n m a
Cell volume: 5363.94
Cell parameters: 20.0578; 19.9466; 13.407; 90; 90; 90;  

COD ID: 1505105
CIF file Formula: - C12 H29 N O49 Si24 -
Comments: Schmidt, Wolfgang; Wilczok, Ursula; Weidenthaler, Claudia; Medenbach, Olaf; Goddard, Richard; Buth, Gernot; Cepak, Alexander Preparation and morphology of pyramidal MFI single-crystal segments. The journal of physical chemistry. B 111(48) (2007) 13538-13543
Space group: P n m a
Cell volume: 5380.2
Cell parameters: 20.0837; 19.97; 13.4146; 90; 90; 90;  

COD ID: 1505106
CIF file Formula: - O2 Si -
Comments: Schmidt, Wolfgang; Wilczok, Ursula; Weidenthaler, Claudia; Medenbach, Olaf; Goddard, Richard; Buth, Gernot; Cepak, Alexander Preparation and morphology of pyramidal MFI single-crystal segments. The journal of physical chemistry. B 111(48) (2007) 13538-13543
Space group: P 1 21/n 1
Cell volume: 5356
Cell parameters: 13.382; 20.125; 19.89; 90; 90.547; 90;  

COD ID: 1505689
CIF file Formula: - C8 H12 Cl N3 -
Comments: Saha, Satyen; Hamaguchi, Hiro-o Effect of water on the molecular structure and arrangement of nitrile-functionalized ionic liquids. The journal of physical chemistry. B 110(6) (2006) 2777-2781
Space group: P 1 21/c 1
Cell volume: 977.5
Cell parameters: 8.745; 10.993; 10.41; 90; 102.383; 90;  

COD ID: 1505690
CIF file Formula: - C8 H14 Cl N3 O -
Comments: Saha, Satyen; Hamaguchi, Hiro-o Effect of water on the molecular structure and arrangement of nitrile-functionalized ionic liquids. The journal of physical chemistry. B 110(6) (2006) 2777-2781
Space group: P 1 21/n 1
Cell volume: 1077.3
Cell parameters: 7.216; 13.874; 10.896; 90; 99.055; 90;  

COD ID: 1505691
CIF file Formula: - C8 H12 I N3 -
Comments: Saha, Satyen; Hamaguchi, Hiro-o Effect of water on the molecular structure and arrangement of nitrile-functionalized ionic liquids. The journal of physical chemistry. B 110(6) (2006) 2777-2781
Space group: P -1
Cell volume: 546.4
Cell parameters: 7.866; 7.928; 9.05; 87.38; 87.004; 75.926;  

COD ID: 1505692
CIF file Formula: - C64 H67 N6 O25.5 S4 -
Comments: Liu, Yu; Guo, Dong-Sheng; Zhang, Heng-Yi; Ma, Yu-Hong; Yang, En-Cui The structure and thermodynamics of calix[n]arene complexes with dipyridines and phenanthroline in aqueous solution studied by microcalorimetry and NMR spectroscopy. The journal of physical chemistry. B 110(7) (2006) 3428-3434
Space group: P 1 21/n 1
Cell volume: 8431
Cell parameters: 14.257; 38.099; 16.146; 90; 105.981; 90;  

COD ID: 1505693
CIF file Formula: - Al2.75 Na2.59 O12 Si3.25 -
Comments: Hunger, Jens; Beta, Ilir A.; Böhlig, Heinz; Ling, Chris; Jobic, Herve; Hunger, Bernd Adsorption structures of water in NaX studied by DRIFT spectroscopy and neutron powder diffraction. The journal of physical chemistry. B 110(1) (2006) 342-353
Space group: F d -3 :2
Cell volume: 15797.2
Cell parameters: 25.09153; 25.09153; 25.09153; 90; 90; 90;  

COD ID: 1505694
CIF file Formula: - Al0.92 D0.38 Na0.91 O4.19 Si1.08 -
Comments: Hunger, Jens; Beta, Ilir A.; Böhlig, Heinz; Ling, Chris; Jobic, Herve; Hunger, Bernd Adsorption structures of water in NaX studied by DRIFT spectroscopy and neutron powder diffraction. The journal of physical chemistry. B 110(1) (2006) 342-353
Space group: F d -3 :2
Cell volume: 15827.3
Cell parameters: 25.10741; 25.10741; 25.10741; 90; 90; 90;  

COD ID: 1505695
CIF file Formula: - Al0.92 D0.89 Na0.84 O4.45 Si1.08 -
Comments: Hunger, Jens; Beta, Ilir A.; Böhlig, Heinz; Ling, Chris; Jobic, Herve; Hunger, Bernd Adsorption structures of water in NaX studied by DRIFT spectroscopy and neutron powder diffraction. The journal of physical chemistry. B 110(1) (2006) 342-353
Space group: F d -3 :2
Cell volume: 15821.6
Cell parameters: 25.10442; 25.10442; 25.10442; 90; 90; 90;  

COD ID: 1505696
CIF file Formula: - Al2.75 D4.1 Na2.92 O14.05 Si3.25 -
Comments: Hunger, Jens; Beta, Ilir A.; Böhlig, Heinz; Ling, Chris; Jobic, Herve; Hunger, Bernd Adsorption structures of water in NaX studied by DRIFT spectroscopy and neutron powder diffraction. The journal of physical chemistry. B 110(1) (2006) 342-353
Space group: F d -3 :2
Cell volume: 15719.9
Cell parameters: 25.05049; 25.05049; 25.05049; 90; 90; 90;  

COD ID: 1505697
CIF file Formula: - F1.28 O48 Si24 -
Comments: Burton, Allen; Darton, Richard J.; Davis, Mark E.; Hwang, Song-Jong; Morris, Russell E.; Ogino, Isao; Zones, Stacey I. Structure-directing agent location and non-centrosymmetric structure of fluoride-containing zeolite SSZ-55. The journal of physical chemistry. B 110(11) (2006) 5273-5278
Space group: C 2 2 21
Cell volume: 1412.5
Cell parameters: 12.905; 21.344; 5.1279; 90; 90; 90;  

COD ID: 1505699
CIF file Formula: - C5 H6 N2 O -
Comments: Grabowski, Sławomir J; Dubis, Alina T.; Palusiak, Marcin; Leszczynski, Jerzy Heteronuclear intermolecular resonance-assisted hydrogen bonds. The structure of pyrrole-2-carboxamide (PyCa). The journal of physical chemistry. B 110(12) (2006) 5875-5882
Space group: C 1 2/c 1
Cell volume: 1048.5
Cell parameters: 14.138; 5.0768; 14.813; 90; 99.545; 90;  

COD ID: 1505700
CIF file Formula: - C22 H32 Li Ni O8 S10 -
Comments: Akutagawa, Tomoyuki; Motokizawa, Takeshi; Matsuura, Kazumasa; Nishihara, Sadafumi; Noro, Shin-ichiro; Nakamura, Takayoshi Structural phase transition of magnetic [Ni(dmit)2]- salts induced by supramolecular cation structures of (M+)([12]crown-4)2. The journal of physical chemistry. B 110(12) (2006) 5897-5904
Space group: P -1
Cell volume: 6747
Cell parameters: 12.12; 20.95; 27.35; 90.87; 91.28; 103.59;  

COD ID: 1505701
CIF file Formula: - C22 H32 Na Ni O8 S10 -
Comments: Akutagawa, Tomoyuki; Motokizawa, Takeshi; Matsuura, Kazumasa; Nishihara, Sadafumi; Noro, Shin-ichiro; Nakamura, Takayoshi Structural phase transition of magnetic [Ni(dmit)2]- salts induced by supramolecular cation structures of (M+)([12]crown-4)2. The journal of physical chemistry. B 110(12) (2006) 5897-5904
Space group: C 1 2/c 1
Cell volume: 3378
Cell parameters: 30.03; 11.327; 10.357; 90; 106.47; 90;  

COD ID: 1505702
CIF file Formula: - C22 H32 Na Ni O8 S10 -
Comments: Akutagawa, Tomoyuki; Motokizawa, Takeshi; Matsuura, Kazumasa; Nishihara, Sadafumi; Noro, Shin-ichiro; Nakamura, Takayoshi Structural phase transition of magnetic [Ni(dmit)2]- salts induced by supramolecular cation structures of (M+)([12]crown-4)2. The journal of physical chemistry. B 110(12) (2006) 5897-5904
Space group: C 1 2/m 1
Cell volume: 1758
Cell parameters: 10.477; 11.588; 14.498; 90; 92.58; 90;  

COD ID: 1505703
CIF file Formula: - C22 H32 K Ni O8 S10 -
Comments: Akutagawa, Tomoyuki; Motokizawa, Takeshi; Matsuura, Kazumasa; Nishihara, Sadafumi; Noro, Shin-ichiro; Nakamura, Takayoshi Structural phase transition of magnetic [Ni(dmit)2]- salts induced by supramolecular cation structures of (M+)([12]crown-4)2. The journal of physical chemistry. B 110(12) (2006) 5897-5904
Space group: C 1 2/c 1
Cell volume: 3329
Cell parameters: 29.872; 11.268; 10.309; 90; 106.376; 90;  

COD ID: 1505704
CIF file Formula: - C22 H32 K Ni O8 S10 -
Comments: Akutagawa, Tomoyuki; Motokizawa, Takeshi; Matsuura, Kazumasa; Nishihara, Sadafumi; Noro, Shin-ichiro; Nakamura, Takayoshi Structural phase transition of magnetic [Ni(dmit)2]- salts induced by supramolecular cation structures of (M+)([12]crown-4)2. The journal of physical chemistry. B 110(12) (2006) 5897-5904
Space group: C 1 2/m 1
Cell volume: 1756
Cell parameters: 10.472; 11.584; 14.494; 90; 92.61; 90;  

COD ID: 1505705
CIF file Formula: - C22 H32 Ni O8 Rb S10 -
Comments: Akutagawa, Tomoyuki; Motokizawa, Takeshi; Matsuura, Kazumasa; Nishihara, Sadafumi; Noro, Shin-ichiro; Nakamura, Takayoshi Structural phase transition of magnetic [Ni(dmit)2]- salts induced by supramolecular cation structures of (M+)([12]crown-4)2. The journal of physical chemistry. B 110(12) (2006) 5897-5904
Space group: C 1 2/c 1
Cell volume: 3366
Cell parameters: 30.614; 11.144; 10.275; 90; 106.24; 90;  

COD ID: 1505706
CIF file Formula: - C22 H32 Ni O8 Rb S10 -
Comments: Akutagawa, Tomoyuki; Motokizawa, Takeshi; Matsuura, Kazumasa; Nishihara, Sadafumi; Noro, Shin-ichiro; Nakamura, Takayoshi Structural phase transition of magnetic [Ni(dmit)2]- salts induced by supramolecular cation structures of (M+)([12]crown-4)2. The journal of physical chemistry. B 110(12) (2006) 5897-5904
Space group: C 1 2/c 1
Cell volume: 3522
Cell parameters: 31.19; 11.346; 10.41; 90; 107.04; 90;  

COD ID: 1505707
CIF file Formula: - C20 H11 N6 Ni O2 S4 -
Comments: Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K. Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate. The journal of physical chemistry. B 110(15) (2006) 7671-7677
Space group: P 1 21/c 1
Cell volume: 2274.8
Cell parameters: 12.196; 26.506; 7.2171; 90; 102.83; 90;  

COD ID: 1505708
CIF file Formula: - C20 H11 Au0.01 N6 Ni0.99 O2 S4 -
Comments: Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K. Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate. The journal of physical chemistry. B 110(15) (2006) 7671-7677
Space group: P 1 21/c 1
Cell volume: 2265.4
Cell parameters: 12.176; 26.492; 7.2027; 90; 102.82; 90;  

COD ID: 1505709
CIF file Formula: - C20 H11 Au0.04 N6 Ni0.96 O2 S4 -
Comments: Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K. Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate. The journal of physical chemistry. B 110(15) (2006) 7671-7677
Space group: P 1 21/c 1
Cell volume: 2251.9
Cell parameters: 12.152; 26.427; 7.1924; 90; 102.85; 90;  

COD ID: 1505710
CIF file Formula: - C20 H11 Au0.11 N6 Ni0.89 O2 S4 -
Comments: Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K. Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate. The journal of physical chemistry. B 110(15) (2006) 7671-7677
Space group: P 1 21/c 1
Cell volume: 2271.5
Cell parameters: 12.188; 26.503; 7.215; 90; 102.93; 90;  

COD ID: 1505711
CIF file Formula: - C20 H11 Au0.21 N6 Ni0.79 O2 S4 -
Comments: Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K. Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate. The journal of physical chemistry. B 110(15) (2006) 7671-7677
Space group: P 1 21/c 1
Cell volume: 2282
Cell parameters: 12.194; 26.577; 7.226; 90; 102.98; 90;  

COD ID: 1505712
CIF file Formula: - C20 H11 Au0.27 N6 Ni0.73 O2 S4 -
Comments: Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K. Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate. The journal of physical chemistry. B 110(15) (2006) 7671-7677
Space group: P 1 21/c 1
Cell volume: 2294.4
Cell parameters: 12.191; 26.626; 7.2551; 90; 103.02; 90;  

COD ID: 1505713
CIF file Formula: - C20 H11 Au0.35 N6 Ni0.65 O2 S4 -
Comments: Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K. Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate. The journal of physical chemistry. B 110(15) (2006) 7671-7677
Space group: P 1 21/c 1
Cell volume: 2278.7
Cell parameters: 12.2; 26.524; 7.2281; 90; 103.03; 90;  

COD ID: 1505714
CIF file Formula: - C20 H11 Au0.41 N6 Ni0.59 O2 S4 -
Comments: Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K. Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate. The journal of physical chemistry. B 110(15) (2006) 7671-7677
Space group: P 1 21/c 1
Cell volume: 2272
Cell parameters: 12.15; 26.553; 7.2316; 90; 103.14; 90;  

COD ID: 1505715
CIF file Formula: - C20 H11 Au0.49 N6 Ni0.51 O2 S4 -
Comments: Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K. Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate. The journal of physical chemistry. B 110(15) (2006) 7671-7677
Space group: P 1 21/c 1
Cell volume: 2283.7
Cell parameters: 12.176; 26.582; 7.2458; 90; 103.15; 90;  

COD ID: 1505716
CIF file Formula: - C20 H11 Au0.57 N6 Ni0.43 O2 S4 -
Comments: Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K. Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate. The journal of physical chemistry. B 110(15) (2006) 7671-7677
Space group: P 1 21/c 1
Cell volume: 2292.6
Cell parameters: 12.191; 26.626; 7.2551; 90; 103.22; 90;  

COD ID: 1505717
CIF file Formula: - C20 H11 Au0.73 N6 Ni0.27 O2 S4 -
Comments: Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K. Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate. The journal of physical chemistry. B 110(15) (2006) 7671-7677
Space group: P 1 21/c 1
Cell volume: 2305.5
Cell parameters: 12.203; 26.67; 7.2823; 90; 103.4; 90;  

COD ID: 1505718
CIF file Formula: - C20 H11 Au N6 O2 S4 -
Comments: Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K. Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate. The journal of physical chemistry. B 110(15) (2006) 7671-7677
Space group: P 1 21/c 1
Cell volume: 2329
Cell parameters: 12.237; 26.762; 7.3168; 90; 103.6; 90;  

COD ID: 1505719
CIF file Formula: - C20 H11 Au0.35 N6 Ni0.65 O2 S4 -
Comments: Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K. Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate. The journal of physical chemistry. B 110(15) (2006) 7671-7677
Space group: P 1 21/c 1
Cell volume: 2222.4
Cell parameters: 12.045; 26.43; 7.1337; 90; 101.88; 90;  

COD ID: 1505720
CIF file Formula: - C20 H11 Au0.49 N6 Ni0.51 O2 S4 -
Comments: Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K. Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate. The journal of physical chemistry. B 110(15) (2006) 7671-7677
Space group: P 1 21/c 1
Cell volume: 2230.8
Cell parameters: 12.061; 26.487; 7.1393; 90; 102.01; 90;  

COD ID: 1505721
CIF file Formula: - C20 H11 Au0.27 N6 Ni0.73 O2 S4 -
Comments: Ren, X. M.; Akutagawa, T.; Noro, S.; Nishihara, S.; Nakamura, T.; Yoshida, Y.; Inoue, K. Structural and magnetic investigations for the doping effect of nonmagnetic impurity on the spin-Peierls-like transition in a quasi-one-dimensional magnet: 1-(4'-nitrobenzyl)pyridinium bis(maleonitriledithiolato)nickelate. The journal of physical chemistry. B 110(15) (2006) 7671-7677
Space group: P -1
Cell volume: 2186
Cell parameters: 7.072; 11.974; 26.325; 89.419; 88.557; 78.817;  

COD ID: 1505722
CIF file Formula: - C36 H49 Cl N12 Ni2 O6 -
Comments: Sarkar, Sumana; Datta, Ayan; Mondal, Amrita; Chopra, Deepak; Ribas, Joan; Rajak, Kajal Krishna; Sairam S M, Sairam; Pati, Swapan K. Competing magnetic interactions in a dinuclear Ni(II) complex: antiferromagnetic O-H...O moiety and ferromagnetic N3- ligand. The journal of physical chemistry. B 110(1) (2006) 12-15
Space group: P b n a
Cell volume: 4242.2
Cell parameters: 16.345; 17.334; 14.973; 90; 90; 90;  

COD ID: 1505725
CIF file Formula: - C29 H29 F18 N4 Ni1.5 O11 -
Comments: Maekawa, Kensuke; Shiomi, Daisuke; Ise, Tomoaki; Sato, Kazunobu; Takui, Takeji Experimental evidence for the triplet-like spin state appearing in ground-state singlet biradicals as a key feature for generalized ferrimagnetic spin alignment. The journal of physical chemistry. B 110(5) (2006) 2102-2107
Space group: P -1
Cell volume: 2029.83
Cell parameters: 8.7852; 14.581; 17.7406; 73.052; 86.854; 69.249;  

COD ID: 1505727
CIF file Formula: - B F4 Li -
Comments: Matsumoto, Kazuhiko; Hagiwara, Rika; Mazej, Zoran; Goreshnik, Evgeny; Zemva, Boris Anomalously large formula unit volume and its effect on the thermal behavior of LiBF4. The journal of physical chemistry. B 110(5) (2006) 2138-2141
Space group: P 31 2 1
Cell volume: 228
Cell parameters: 4.892; 4.892; 11.002; 90; 90; 120;  

COD ID: 1505730
CIF file Formula: - C30 H32 S11 -
Comments: Berridge, Rory; Skabara, Peter J.; Pozo-Gonzalo, Cristina; Kanibolotsky, Alexander; Lohr, Jan; McDouall, Joseph J. W.; McInnes, Eric J. L.; Wolowska, Joanna; Winder, Christoph; Sariciftci, N. Serdar; Harrington, Ross W.; Clegg, William Incorporation of fused tetrathiafulvalenes (TTFs) into polythiophene architectures: varying the electroactive dominance of the TTF species in hybrid systems. The journal of physical chemistry. B 110(7) (2006) 3140-3152
Space group: C 1 2/c 1
Cell volume: 6833.5
Cell parameters: 20.392; 41.473; 8.0801; 90; 90.08; 90;  

COD ID: 1505731
CIF file Formula: - C10 H36 Cl3 O13 Y -
Comments: Lindqvist-Reis, Patric; Walther, Clemens; Klenze, Reinhardt; Eichhöfer, Andreas; Fanghänel, Thomas Large ground-state and excited-state crystal field splitting of 8-fold-coordinate Cm3+ in [Y(H2O)8]Cl3.15-crown-5. The journal of physical chemistry. B 110(11) (2006) 5279-5285
Space group: P 1 21/n 1
Cell volume: 2418.1
Cell parameters: 9.1848; 17.229; 15.299; 90; 92.8; 90;  

COD ID: 1505732
CIF file Formula: - C43 H43 F4 Ir N5 O3 P -
Comments: Lyu, Yi-Yeol; Byun, Younghun; Kwon, Ohyun; Han, Eunsil; Jeon, Woo Sung; Das, Rupasree Ragini; Char, Kookheon Substituent effect on the luminescent properties of a series of deep blue emitting mixed ligand Ir(III) complexes. The journal of physical chemistry. B 110(21) (2006) 10303-10314
Space group: P 1 21/n 1
Cell volume: 4010.6
Cell parameters: 13.41; 14.547; 21.17; 90; 103.798; 90;  

COD ID: 1505733
CIF file Formula: - C44 H41 F4 Ir N3 O5 P -
Comments: Lyu, Yi-Yeol; Byun, Younghun; Kwon, Ohyun; Han, Eunsil; Jeon, Woo Sung; Das, Rupasree Ragini; Char, Kookheon Substituent effect on the luminescent properties of a series of deep blue emitting mixed ligand Ir(III) complexes. The journal of physical chemistry. B 110(21) (2006) 10303-10314
Space group: P -1
Cell volume: 1964.4
Cell parameters: 9.707; 10.2082; 19.8603; 86.894; 88.988; 88.887;  

COD ID: 1505736
CIF file Formula: - C4 H14 Cl5 N2 Sb -
Comments: Bujak, Maciej; Angel, Ross J. High-pressure- and low-temperature-induced changes in [(CH3)2NH(CH2)2NH3][SbCl5]. The journal of physical chemistry. B 110(21) (2006) 10322-10331
Space group: P 1 21/c 1
Cell volume: 1270.83
Cell parameters: 12.3542; 10.1592; 10.198; 90; 96.839; 90;  

COD ID: 1505737
CIF file Formula: - C4 H14 Cl5 N2 Sb -
Comments: Bujak, Maciej; Angel, Ross J. High-pressure- and low-temperature-induced changes in [(CH3)2NH(CH2)2NH3][SbCl5]. The journal of physical chemistry. B 110(21) (2006) 10322-10331
Space group: P 1 21/c 1
Cell volume: 1276.74
Cell parameters: 12.366; 10.1778; 10.2219; 90; 97.066; 90;  

COD ID: 1505738
CIF file Formula: - C4 H14 Cl5 N2 Sb -
Comments: Bujak, Maciej; Angel, Ross J. High-pressure- and low-temperature-induced changes in [(CH3)2NH(CH2)2NH3][SbCl5]. The journal of physical chemistry. B 110(21) (2006) 10322-10331
Space group: P 1 21/c 1
Cell volume: 1314.1
Cell parameters: 12.484; 10.265; 10.3502; 90; 97.785; 90;  

COD ID: 1505739
CIF file Formula: - C4 H14 Cl5 N2 Sb -
Comments: Bujak, Maciej; Angel, Ross J. High-pressure- and low-temperature-induced changes in [(CH3)2NH(CH2)2NH3][SbCl5]. The journal of physical chemistry. B 110(21) (2006) 10322-10331
Space group: P 1 21/c 1
Cell volume: 1246.22
Cell parameters: 12.2733; 10.1433; 10.081; 90; 96.782; 90;  

COD ID: 1505740
CIF file Formula: - C8 H28 Cl10 N4 Sb2 -
Comments: Bujak, Maciej; Angel, Ross J. High-pressure- and low-temperature-induced changes in [(CH3)2NH(CH2)2NH3][SbCl5]. The journal of physical chemistry. B 110(21) (2006) 10322-10331
Space group: P 1 21/n 1
Cell volume: 2395.8
Cell parameters: 24.649; 10.0612; 10.121; 90; 107.349; 90;  

COD ID: 1505741
CIF file Formula: - C8 H28 Cl10 N4 Sb2 -
Comments: Bujak, Maciej; Angel, Ross J. High-pressure- and low-temperature-induced changes in [(CH3)2NH(CH2)2NH3][SbCl5]. The journal of physical chemistry. B 110(21) (2006) 10322-10331
Space group: P 1 21/n 1
Cell volume: 2288.3
Cell parameters: 24.3137; 9.9272; 9.9246; 90; 107.205; 90;  

COD ID: 1505742
CIF file Formula: - C8 H28 Cl10 N4 Sb2 -
Comments: Bujak, Maciej; Angel, Ross J. High-pressure- and low-temperature-induced changes in [(CH3)2NH(CH2)2NH3][SbCl5]. The journal of physical chemistry. B 110(21) (2006) 10322-10331
Space group: P 1 21/n 1
Cell volume: 2201.8
Cell parameters: 24.0842; 9.797; 9.767; 90; 107.171; 90;  

COD ID: 1505743
CIF file Formula: - C8 H28 Cl10 N4 Sb2 -
Comments: Bujak, Maciej; Angel, Ross J. High-pressure- and low-temperature-induced changes in [(CH3)2NH(CH2)2NH3][SbCl5]. The journal of physical chemistry. B 110(21) (2006) 10322-10331
Space group: P 1 21/n 1
Cell volume: 2151.2
Cell parameters: 23.969; 9.7129; 9.6721; 90; 107.183; 90;  

COD ID: 1505744
CIF file Formula: - Ba0.5 Bi6 Mo2.5 O17 -
Comments: Muktha, B.; Aarthi, T.; Madras, Giridhar; Guru Row, T. N. Substitution effect on the photocatalytic degradation by the series AxBi26-xMo10O68+0.5y (A = Ba, y = 0; A = Bi, La, y = 2): a kinetic study. The journal of physical chemistry. B 110(21) (2006) 10280-10286
Space group: P 1 2/c 1
Cell volume: 1643.84
Cell parameters: 11.6887; 5.8139; 24.7151; 90; 101.838; 90;  

COD ID: 1505745
CIF file Formula: - C14 H28 Cs Li N2 O4 -
Comments: Ichimura, Andrew S.; Huang, Rui H.; Xie, Qingshan; Morganelli, Philip; Burns, Amy; Dye, James L. One-dimensional zigzag chains of Cs-: the structures and properties of Li+ (cryptand[2.1.1])Cs- and Cs+ (cryptand[2.2.2])Cs-. The journal of physical chemistry. B 110(25) (2006) 12293-12301
Space group: C 1 2/m 1
Cell volume: 2535
Cell parameters: 23.748; 13.434; 8.212; 90; 75.34; 90;  

COD ID: 1505747
CIF file Formula: - C89 H8 Sc3 -
Comments: Nishibori, Eiji; Terauchi, Ikuya; Sakata, Makoto; Takata, Masaki; Ito, Yasuhiro; Sugai, Toshiki; Shinohara, Hisanori High-resolution analysis of (Sc3C2)@ C80 metallofullerene by third generation synchrotron radiation X-ray powder diffraction. The journal of physical chemistry. B 110(39) (2006) 19215-19219
Space group: P 1 21/m 1
Cell volume: 2151.99
Cell parameters: 18.1948; 11.14953; 11.13725; 90; 107.733; 90;  

COD ID: 1505748
CIF file Formula: - C22 H27 Cu N O2 -
Comments: Phongtamrug, Suttinun; Tashiro, Kohji; Miyata, Mikiji; Chirachanchai, Suwabun Supramolecular structure of N,N-Bis(2-hydroxybenzyl)alkylamine: flexible molecular assembly framework for host without guest and host with guest. The journal of physical chemistry. B 110(42) (2006) 21365-21370
Space group: P 1 21/n 1
Cell volume: 1919.8
Cell parameters: 10.3633; 14.4094; 13.5082; 90; 107.873; 90;  

COD ID: 1505749
CIF file Formula: - C19 H26 Cu N O3.5 -
Comments: Phongtamrug, Suttinun; Tashiro, Kohji; Miyata, Mikiji; Chirachanchai, Suwabun Supramolecular structure of N,N-Bis(2-hydroxybenzyl)alkylamine: flexible molecular assembly framework for host without guest and host with guest. The journal of physical chemistry. B 110(42) (2006) 21365-21370
Space group: C 1 2/c 1
Cell volume: 3854.3
Cell parameters: 18.972; 14.075; 15.806; 90; 114.051; 90;  

COD ID: 1505750
CIF file Formula: - C36 H40 Cl6 N6 O23 Pt3 Y2 -
Comments: Szeto, Kai Chung; Lillerud, Karl Petter; Tilset, Mats; Bjørgen, Morten; Prestipino, Carmelo; Zecchina, Adriano; Lamberti, Carlo; Bordiga, Silvia A thermally stable Pt/Y-based metal-organic framework: Exploring the accessibility of the metal centers with spectroscopic methods using H2O, CH3OH, and CH3CN as probes. The journal of physical chemistry. B 110(43) (2006) 21509-21520
Space group: P b c a
Cell volume: 10174
Cell parameters: 18.068; 19.887; 28.316; 90; 90; 90;  

COD ID: 1505751
CIF file Formula: - C34 H26 -
Comments: Xie, Zengqi; Yang, Bing; Xie, Weijie; Liu, Linlin; Shen, Fangzhong; Wang, Huan; Yang, Xuyan; Wang, Zhiming; Li, Yupeng; Hanif, Muddasir; Yang, Guangdi; Ye, Ling; Ma, Yuguang A class of nonplanar conjugated compounds with aggregation-induced emission: structural and optical properties of 2,5-diphenyl-1,4-distyrylbenzene derivatives with all cis double bonds. The journal of physical chemistry. B 110(42) (2006) 20993-21000
Space group: P -1
Cell volume: 1244.2
Cell parameters: 5.4867; 12.864; 17.893; 97.67; 90.92; 96;  

COD ID: 1505752
CIF file Formula: - C38 H34 -
Comments: Xie, Zengqi; Yang, Bing; Xie, Weijie; Liu, Linlin; Shen, Fangzhong; Wang, Huan; Yang, Xuyan; Wang, Zhiming; Li, Yupeng; Hanif, Muddasir; Yang, Guangdi; Ye, Ling; Ma, Yuguang A class of nonplanar conjugated compounds with aggregation-induced emission: structural and optical properties of 2,5-diphenyl-1,4-distyrylbenzene derivatives with all cis double bonds. The journal of physical chemistry. B 110(42) (2006) 20993-21000
Space group: P 1 21/c 1
Cell volume: 1435.8
Cell parameters: 13.6; 18.604; 5.675; 90; 90.36; 90;  

COD ID: 1505753
CIF file Formula: - C36 H30 -
Comments: Xie, Zengqi; Yang, Bing; Xie, Weijie; Liu, Linlin; Shen, Fangzhong; Wang, Huan; Yang, Xuyan; Wang, Zhiming; Li, Yupeng; Hanif, Muddasir; Yang, Guangdi; Ye, Ling; Ma, Yuguang A class of nonplanar conjugated compounds with aggregation-induced emission: structural and optical properties of 2,5-diphenyl-1,4-distyrylbenzene derivatives with all cis double bonds. The journal of physical chemistry. B 110(42) (2006) 20993-21000
Space group: P 1 21/n 1
Cell volume: 2773.2
Cell parameters: 9.9754; 10.8854; 25.8049; 90; 98.23; 90;  

COD ID: 1505754
CIF file Formula: - C34 H22 F4 -
Comments: Xie, Zengqi; Yang, Bing; Xie, Weijie; Liu, Linlin; Shen, Fangzhong; Wang, Huan; Yang, Xuyan; Wang, Zhiming; Li, Yupeng; Hanif, Muddasir; Yang, Guangdi; Ye, Ling; Ma, Yuguang A class of nonplanar conjugated compounds with aggregation-induced emission: structural and optical properties of 2,5-diphenyl-1,4-distyrylbenzene derivatives with all cis double bonds. The journal of physical chemistry. B 110(42) (2006) 20993-21000
Space group: P -1
Cell volume: 634.9
Cell parameters: 8.0544; 8.7247; 10.764; 67.07; 88.05; 66.99;  

COD ID: 1505755
CIF file Formula: - C7 H12 F6 N2 O6 S2 -
Comments: Nockemann, Peter; Thijs, Ben; Pittois, Stijn; Thoen, Jan; Glorieux, Christ; Van Hecke, Kristof; Van Meervelt, Luc; Kirchner, Barbara; Binnemans, Koen Task-specific ionic liquid for solubilizing metal oxides. The journal of physical chemistry. B 110(42) (2006) 20978-20992
Space group: P b c a
Cell volume: 6129.6
Cell parameters: 23.4721; 10.2027; 25.5957; 90; 90; 90;  

COD ID: 1505756
CIF file Formula: - C26 H47 F18 N7 O20 S6 -
Comments: Nockemann, Peter; Thijs, Ben; Pittois, Stijn; Thoen, Jan; Glorieux, Christ; Van Hecke, Kristof; Van Meervelt, Luc; Kirchner, Barbara; Binnemans, Koen Task-specific ionic liquid for solubilizing metal oxides. The journal of physical chemistry. B 110(42) (2006) 20978-20992
Space group: P 1 21/c 1
Cell volume: 2678.1
Cell parameters: 8.2731; 13.0086; 24.9865; 90; 95.181; 90;  

COD ID: 1505757
CIF file Formula: - C52 H88 Cu3 F36 N14 O44 S12 -
Comments: Nockemann, Peter; Thijs, Ben; Pittois, Stijn; Thoen, Jan; Glorieux, Christ; Van Hecke, Kristof; Van Meervelt, Luc; Kirchner, Barbara; Binnemans, Koen Task-specific ionic liquid for solubilizing metal oxides. The journal of physical chemistry. B 110(42) (2006) 20978-20992
Space group: P 1 21/n 1
Cell volume: 5508.97
Cell parameters: 15.2183; 26.1383; 15.6211; 90; 117.554; 90;  

COD ID: 1505758
CIF file Formula: - C52 H88 Dy2 F36 N14 O44 S12 -
Comments: Nockemann, Peter; Thijs, Ben; Pittois, Stijn; Thoen, Jan; Glorieux, Christ; Van Hecke, Kristof; Van Meervelt, Luc; Kirchner, Barbara; Binnemans, Koen Task-specific ionic liquid for solubilizing metal oxides. The journal of physical chemistry. B 110(42) (2006) 20978-20992
Space group: P -1
Cell volume: 2767.31
Cell parameters: 14.5423; 14.5866; 15.0399; 82.522; 65.901; 71.849;  

COD ID: 1505759
CIF file Formula: - C22 H26 N3 O2 S -
Comments: de Bettencourt-Dias, Ana; Poloukhtine, Andrei Phenylthiophene-dipicolinic acid-based emitters with strong solution blue and solid state green emission. The journal of physical chemistry. B 110(51) (2006) 25638-25645
Space group: P 1 21/c 1
Cell volume: 2136.4
Cell parameters: 15.224; 8.9383; 17.234; 90; 114.36; 90;  

COD ID: 1505763
CIF file Formula: - C27 H36 Cu N4 O11 S2 -
Comments: Kondo, Atsushi; Noguchi, Hiroshi; Kajiro, Hiroshi; Carlucci, Lucia; Mercandelli, Pierluigi; Proserpio, Davide M.; Tanaka, Hideki; Kaneko, Katsumi; Kanoh, Hirofumi Coordination symmetry-dependent structure restoration function of one-dimensional MOFs by molecular respiration. The journal of physical chemistry. B 110(51) (2006) 25565-25567
Space group: P 1 21 1
Cell volume: 1638.1
Cell parameters: 7.89; 15.945; 13.063; 90; 94.588; 90;  

COD ID: 1505764
CIF file Formula: - C52 H72 Cu2 N8 O22 S4 -
Comments: Kondo, Atsushi; Noguchi, Hiroshi; Kajiro, Hiroshi; Carlucci, Lucia; Mercandelli, Pierluigi; Proserpio, Davide M.; Tanaka, Hideki; Kaneko, Katsumi; Kanoh, Hirofumi Coordination symmetry-dependent structure restoration function of one-dimensional MOFs by molecular respiration. The journal of physical chemistry. B 110(51) (2006) 25565-25567
Space group: P 1 21/c 1
Cell volume: 3268.97
Cell parameters: 24.3572; 7.9688; 17.4501; 90; 105.172; 90;  

COD ID: 1505765
CIF file Formula: - C15 H7 Er F18 O8 -
Comments: Tan, Rendy H. C.; Motevalli, Majid; Abrahams, Isaac; Wyatt, Peter B.; Gillin, William P. Quenching of IR luminescence of erbium, neodymium, and ytterbium beta-diketonate complexes by ligand C-H and C-D bonds. The journal of physical chemistry. B 110(48) (2006) 24476-24479
Space group: P -1
Cell volume: 1235.32
Cell parameters: 9.9059; 11.5257; 12.3039; 67.909; 73.791; 76.086;  

COD ID: 1505766
CIF file Formula: - C20 H4 Cs Er F24 O8 -
Comments: Tan, Rendy H. C.; Motevalli, Majid; Abrahams, Isaac; Wyatt, Peter B.; Gillin, William P. Quenching of IR luminescence of erbium, neodymium, and ytterbium beta-diketonate complexes by ligand C-H and C-D bonds. The journal of physical chemistry. B 110(48) (2006) 24476-24479
Space group: P b c n
Cell volume: 3119
Cell parameters: 8.534; 21.189; 17.251; 90; 90; 90;  

COD ID: 1506360
CIF file Formula: - C24 H19 N -
Comments: Ho, Tong-Ing; Elangovan, Arumugasamy; Hsu, Hsien-Yi; Yang, Shu-Wen Highly fluorescent N,N-dimethylaminophenylethynylarenes: synthesis, photophysical properties, and electrochemiluminescence. The journal of physical chemistry. B 109(18) (2005) 8626-8633
Space group: P -1
Cell volume: 859.86
Cell parameters: 9.204; 9.325; 11.096; 72.871; 80.424; 71.413;  

COD ID: 1506361
CIF file Formula: - C28 H28 N2 O2 -
Comments: Ye, Kaiqi; Wang, Jia; Sun, Hui; Liu, Yu; Mu, Zhongcheng; Li, Fei; Jiang, Shimei; Zhang, Jingying; Zhang, Hongxing; Wang, Yue; Che, Chi-Ming Supramolecular structures and assembly and luminescent properties of quinacridone derivatives. The journal of physical chemistry. B 109(16) (2005) 8008-8016
Space group: P 1 21/n 1
Cell volume: 2115.03
Cell parameters: 7.4962; 14.7065; 19.2131; 90; 93.091; 90;  

COD ID: 1506362
CIF file Formula: - C32 H36 N2 O2 -
Comments: Ye, Kaiqi; Wang, Jia; Sun, Hui; Liu, Yu; Mu, Zhongcheng; Li, Fei; Jiang, Shimei; Zhang, Jingying; Zhang, Hongxing; Wang, Yue; Che, Chi-Ming Supramolecular structures and assembly and luminescent properties of quinacridone derivatives. The journal of physical chemistry. B 109(16) (2005) 8008-8016
Space group: P 1 21/c 1
Cell volume: 1286.73
Cell parameters: 5.0894; 16.0916; 15.8959; 90; 98.732; 90;  

COD ID: 1506363
CIF file Formula: - C58 H44 N2 Nd O6.5 -
Comments: Sun, Li-Ning; Zhang, Hong-Jie; Meng, Qing-Guo; Liu, Feng-Yi; Fu, Lian-She; Peng, Chun-Yun; Yu, Jiang-Bo; Zheng, Guo-Li; Wang, Shu-Bin Near-infrared luminescent hybrid materials doped with lanthanide (Ln) complexes (Ln = Nd, Yb) and their possible laser application. The journal of physical chemistry. B 109(13) (2005) 6174-6182
Space group: P -1
Cell volume: 2499.8
Cell parameters: 12.5701; 13.0988; 16.2767; 93.17; 96.448; 109.387;  

COD ID: 1506364
CIF file Formula: - C57 H41 N2 O6 Yb -
Comments: Sun, Li-Ning; Zhang, Hong-Jie; Meng, Qing-Guo; Liu, Feng-Yi; Fu, Lian-She; Peng, Chun-Yun; Yu, Jiang-Bo; Zheng, Guo-Li; Wang, Shu-Bin Near-infrared luminescent hybrid materials doped with lanthanide (Ln) complexes (Ln = Nd, Yb) and their possible laser application. The journal of physical chemistry. B 109(13) (2005) 6174-6182
Space group: P 1 21/n 1
Cell volume: 4683.6
Cell parameters: 15.5804; 17.0282; 17.6621; 90; 91.779; 90;  

COD ID: 1506365
CIF file Formula: - C8 H8 N3 O6 -
Comments: Jones, H. P.; Davey, R. J.; Cox, B. G. Crystallization of a salt of a weak organic acid and base: solubility relations, supersaturation control and polymorphic behavior. The journal of physical chemistry. B 109(11) (2005) 5273-5278
Space group: P -1
Cell volume: 512.4
Cell parameters: 6.7331; 7.8045; 10.4466; 94.764; 108.278; 97.433;  

COD ID: 1506366
CIF file Formula: - C19 H21 F6 N2 P -
Comments: Consorti, Crestina S.; Suarez, Paulo A. Z.; de Souza, Roberto F.; Burrow, Robert A.; Farrar, David H.; Lough, Alan J.; Loh, Watson; da Silva, Luis H. M.; Dupont, Jairton Identification of 1,3-dialkylimidazolium salt supramolecular aggregates in solution. The journal of physical chemistry. B 109(10) (2005) 4341-4349
Space group: P 21 21 21
Cell volume: 1916.4
Cell parameters: 10.2149; 12.5025; 15.0057; 90; 90; 90;  

COD ID: 1506367
CIF file Formula: - C43 H41 B N2 -
Comments: Consorti, Crestina S.; Suarez, Paulo A. Z.; de Souza, Roberto F.; Burrow, Robert A.; Farrar, David H.; Lough, Alan J.; Loh, Watson; da Silva, Luis H. M.; Dupont, Jairton Identification of 1,3-dialkylimidazolium salt supramolecular aggregates in solution. The journal of physical chemistry. B 109(10) (2005) 4341-4349
Space group: P 1 21 1
Cell volume: 3215
Cell parameters: 8.484; 19.347; 19.586; 90; 90.506; 90;  

COD ID: 1506368
CIF file Formula: - C19 H21 B F4 N2 -
Comments: Consorti, Crestina S.; Suarez, Paulo A. Z.; de Souza, Roberto F.; Burrow, Robert A.; Farrar, David H.; Lough, Alan J.; Loh, Watson; da Silva, Luis H. M.; Dupont, Jairton Identification of 1,3-dialkylimidazolium salt supramolecular aggregates in solution. The journal of physical chemistry. B 109(10) (2005) 4341-4349
Space group: P 21 21 21
Cell volume: 1801.85
Cell parameters: 10.7207; 10.8545; 15.4841; 90; 90; 90;  

COD ID: 1506370
CIF file Formula: - C37 H49 N6 O9 -
Comments: Maekawa, Kensuke; Shiomi, Daisuke; Ise, Tomoaki; Sato, Kazunobu; Takui, Takeji Exchange interaction in covalently bonded biradical-monoradical composite molecules. The journal of physical chemistry. B 109(8) (2005) 3303-3309
Space group: P c a 21
Cell volume: 3881
Cell parameters: 14.77; 20.689; 12.699; 90; 90; 90;  

COD ID: 1506387
CIF file Formula: - C6 H6 Au3 N6 O3 Tb -
Comments: Tanner, Peter A.; Zhou, Xianju; Wong, Wing-Tak; Kratzer, Cornelius; Yersin, Hartmut Structure and spectroscopy of Tb[Au(CN)2]3.3H2O. The journal of physical chemistry. B 109(27) (2005) 13083-13090
Space group: P 63/m c m
Cell volume: 689.15
Cell parameters: 6.622; 6.622; 18.147; 90; 90; 120;  

COD ID: 1506388
CIF file Formula: - C24 H22 -
Comments: Bhongale, Chetan Jagdish; Chang, Chih-Wei; Lee, Chi-Shen; Diau, Eric Wei-Guang; Hsu, Chain-Shu Relaxation dynamics and structural characterization of organic nanoparticles with enhanced emission. The journal of physical chemistry. B 109(28) (2005) 13472-13482
Space group: P 21 21 21
Cell volume: 1750.8
Cell parameters: 36.813; 6.2947; 7.5555; 90; 90; 90;  

COD ID: 1506389
CIF file Formula: - C3 H7 Al3 N O13 P3 -
Comments: Paillaud, Jean-Louis; Marichal, Claire; Roux, Mélanie; Baerlocher, Christian; Chézeau, Jean Michel Tripling of the unit cell volume of the non-centrosymmetric AlPO4-SOD after dehydration: a structural study of a reversible process. The journal of physical chemistry. B 109(24) (2005) 11893-11899
Space group: C 1 c 1
Cell volume: 4213.64
Cell parameters: 12.8203; 12.18269; 26.99238; 90; 91.843; 90;  

COD ID: 1506390
CIF file Formula: - C2 H8 Al2 F N O8 P2 -
Comments: Paillaud, Jean-Louis; Marichal, Claire; Roux, Mélanie; Baerlocher, Christian; Chézeau, Jean Michel Tripling of the unit cell volume of the non-centrosymmetric AlPO4-SOD after dehydration: a structural study of a reversible process. The journal of physical chemistry. B 109(24) (2005) 11893-11899
Space group: P 1 21/c 1
Cell volume: 950.32
Cell parameters: 9.4049; 12.7739; 8.5805; 90; 112.796; 90;  

COD ID: 1506391
CIF file Formula: - C33 H44 N7 O8 -
Comments: Hayakawa, Kenichi; Shiomi, Daisuke; Ise, Tomoaki; Sato, Kazunobu; Takui, Takeji Magnetic phase transition in a heteromolecular hydrogen-bonded complex of nitronylnitroxide radicals. The journal of physical chemistry. B 109(19) (2005) 9195-9197
Space group: P -1
Cell volume: 1687.8
Cell parameters: 11.839; 12.637; 12.977; 96.936; 100.902; 114.716;  

COD ID: 1506392
CIF file Formula: - C36 H26 S2 Si -
Comments: Chen, Junwu; Xu, Bin; Yang, Kaixia; Cao, Yong; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong Photoluminescence spectral reliance on aggregation order of 1,1-Bis(2'-thienyl)-2,3,4,5-tetraphenylsilole. The journal of physical chemistry. B 109(36) (2005) 17086-17093
Space group: P 1 21 1
Cell volume: 2876.2
Cell parameters: 9.878; 9.84; 29.591; 90; 90.29; 90;  

COD ID: 1506393
CIF file Formula: - C20 H11 I N5 Ni S4 -
Comments: Ren, X. M.; Akutagawa, T.; Nishihara, S.; Nakamura, T.; Fujita, W.; Awaga, K. Structural phase transition driven by spin-lattice interaction in a quasi-one-dimensional spin system of [1-(4'-iodobenzyl)pyridinium][Ni(mnt)2]. The journal of physical chemistry. B 109(35) (2005) 16610-16615
Space group: P 1 21/a 1
Cell volume: 2360
Cell parameters: 7.565; 26.64; 12; 90; 102.64; 90;  

COD ID: 1506394
CIF file Formula: - C20 H11 I N5 Ni S4 -
Comments: Ren, X. M.; Akutagawa, T.; Nishihara, S.; Nakamura, T.; Fujita, W.; Awaga, K. Structural phase transition driven by spin-lattice interaction in a quasi-one-dimensional spin system of [1-(4'-iodobenzyl)pyridinium][Ni(mnt)2]. The journal of physical chemistry. B 109(35) (2005) 16610-16615
Space group: P -1
Cell volume: 2239.4
Cell parameters: 7.3869; 11.886; 26.181; 88.57; 87.29; 77.27;  

COD ID: 1506395
CIF file Formula: - C20 H11 Cu I N5 S4 -
Comments: Ren, X. M.; Akutagawa, T.; Nishihara, S.; Nakamura, T.; Fujita, W.; Awaga, K. Structural phase transition driven by spin-lattice interaction in a quasi-one-dimensional spin system of [1-(4'-iodobenzyl)pyridinium][Ni(mnt)2]. The journal of physical chemistry. B 109(35) (2005) 16610-16615
Space group: P 1 21/c 1
Cell volume: 2365.3
Cell parameters: 11.984; 26.524; 7.6252; 90; 102.61; 90;  

COD ID: 1506396
CIF file Formula: - C20 H11 Cu I N5 S4 -
Comments: Ren, X. M.; Akutagawa, T.; Nishihara, S.; Nakamura, T.; Fujita, W.; Awaga, K. Structural phase transition driven by spin-lattice interaction in a quasi-one-dimensional spin system of [1-(4'-iodobenzyl)pyridinium][Ni(mnt)2]. The journal of physical chemistry. B 109(35) (2005) 16610-16615
Space group: P 1 21/c 1
Cell volume: 2287.9
Cell parameters: 11.883; 26.373; 7.473; 90; 102.34; 90;  

COD ID: 1506400
CIF file Formula: - C15 H11 B F2 N2 -
Comments: Kee, Hooi Ling; Kirmaier, Christine; Yu, Lianhe; Thamyongkit, Patchanita; Youngblood, W. Justin; Calder, Matthew E.; Ramos, Lavoisier; Noll, Bruce C.; Bocian, David F.; Scheidt, W. Robert; Birge, Robert R.; Lindsey, Jonathan S.; Holten, Dewey Structural control of the photodynamics of boron-dipyrrin complexes. The journal of physical chemistry. B 109(43) (2005) 20433-20443
Space group: C 1 2/c 1
Cell volume: 1259.73
Cell parameters: 6.2841; 20.7345; 9.9453; 90; 103.559; 90;  

COD ID: 1506401
CIF file Formula: - C19 H19 B F2 N2 -
Comments: Kee, Hooi Ling; Kirmaier, Christine; Yu, Lianhe; Thamyongkit, Patchanita; Youngblood, W. Justin; Calder, Matthew E.; Ramos, Lavoisier; Noll, Bruce C.; Bocian, David F.; Scheidt, W. Robert; Birge, Robert R.; Lindsey, Jonathan S.; Holten, Dewey Structural control of the photodynamics of boron-dipyrrin complexes. The journal of physical chemistry. B 109(43) (2005) 20433-20443
Space group: P 21 21 21
Cell volume: 1627.7
Cell parameters: 9.123; 11.4591; 15.5695; 90; 90; 90;  

COD ID: 1506402
CIF file Formula: - C16 H13 B F2 N2 -
Comments: Kee, Hooi Ling; Kirmaier, Christine; Yu, Lianhe; Thamyongkit, Patchanita; Youngblood, W. Justin; Calder, Matthew E.; Ramos, Lavoisier; Noll, Bruce C.; Bocian, David F.; Scheidt, W. Robert; Birge, Robert R.; Lindsey, Jonathan S.; Holten, Dewey Structural control of the photodynamics of boron-dipyrrin complexes. The journal of physical chemistry. B 109(43) (2005) 20433-20443
Space group: P 1 21/c 1
Cell volume: 1366.63
Cell parameters: 7.4173; 16.0251; 11.7943; 90; 102.881; 90;  

COD ID: 1506403
CIF file Formula: - C18 H17 B F2 N2 -
Comments: Kee, Hooi Ling; Kirmaier, Christine; Yu, Lianhe; Thamyongkit, Patchanita; Youngblood, W. Justin; Calder, Matthew E.; Ramos, Lavoisier; Noll, Bruce C.; Bocian, David F.; Scheidt, W. Robert; Birge, Robert R.; Lindsey, Jonathan S.; Holten, Dewey Structural control of the photodynamics of boron-dipyrrin complexes. The journal of physical chemistry. B 109(43) (2005) 20433-20443
Space group: P b c a
Cell volume: 3078.48
Cell parameters: 16.7533; 10.6616; 17.2351; 90; 90; 90;  

COD ID: 1506404
CIF file Formula: - C20 H23 B N2 -
Comments: Kee, Hooi Ling; Kirmaier, Christine; Yu, Lianhe; Thamyongkit, Patchanita; Youngblood, W. Justin; Calder, Matthew E.; Ramos, Lavoisier; Noll, Bruce C.; Bocian, David F.; Scheidt, W. Robert; Birge, Robert R.; Lindsey, Jonathan S.; Holten, Dewey Structural control of the photodynamics of boron-dipyrrin complexes. The journal of physical chemistry. B 109(43) (2005) 20433-20443
Space group: P n a 21
Cell volume: 1716.08
Cell parameters: 16.8983; 13.5687; 7.4844; 90; 90; 90;  

COD ID: 1506406
CIF file Formula: - C7 H15 F3 Li N O3 S -
Comments: Rocher, Nathalie M.; Frech, Roger; Khan, Masood Hydrogen bonding and the inductive effect in crystalline and solution phases of hexylamine:LiCF3SO3 and Dipropylamine:LiCF3SO3: application to branched poly(ethylenimine). The journal of physical chemistry. B 109(44) (2005) 20697-20706
Space group: P 1 21/c 1
Cell volume: 1254.02
Cell parameters: 5.1842; 15.379; 15.8877; 90; 98.11; 90;  

COD ID: 1506407
CIF file Formula: - C14 H30 F6 Li2 N2 O6 S2 -
Comments: Rocher, Nathalie M.; Frech, Roger; Khan, Masood Hydrogen bonding and the inductive effect in crystalline and solution phases of hexylamine:LiCF3SO3 and Dipropylamine:LiCF3SO3: application to branched poly(ethylenimine). The journal of physical chemistry. B 109(44) (2005) 20697-20706
Space group: P b c a
Cell volume: 2455.8
Cell parameters: 8.6035; 10.008; 28.521; 90; 90; 90;  

COD ID: 1506408
CIF file Formula: - C10 H14 N2 O2 S -
Comments: Zhang, Wei; Cozzolino, Anthony F.; Mahmoudkhani, Amir H.; Tulumello, Mark; Mansour, Sarah; Vargas-Baca, Ignacio Influence of pi-stacking on the resonant enhancement of the second-order nonlinear optical response of dipolar chromophores. The journal of physical chemistry. B 109(39) (2005) 18378-18384
Space group: F d d 2
Cell volume: 4620
Cell parameters: 24.37; 31.908; 5.941; 90; 90; 90;  

COD ID: 1506410
CIF file Formula: - Al2 D3.26 Na2 O12 Si3 -
Comments: Colligan, Marek; Lee, Yongjae; Vogt, Thomas; Celestian, Aaron J.; Parise, John B.; Marshall, William G.; Hriljac, Joseph A. High-pressure neutron diffraction study of superhydrated natrolite. The journal of physical chemistry. B 109(39) (2005) 18223-18225
Space group: F d d 2
Cell volume: 2243.6
Cell parameters: 18.2933; 18.6282; 6.5839; 90; 90; 90;  

COD ID: 1506411
CIF file Formula: - V -
Comments: Colligan, Marek; Lee, Yongjae; Vogt, Thomas; Celestian, Aaron J.; Parise, John B.; Marshall, William G.; Hriljac, Joseph A. High-pressure neutron diffraction study of superhydrated natrolite. The journal of physical chemistry. B 109(39) (2005) 18223-18225
Space group: I m -3 m
Cell volume: 27.744
Cell parameters: 3.0273; 3.0273; 3.0273; 90; 90; 90;  

COD ID: 1506809
CIF file Formula: - C18 H19 N4 O2 -
Comments: Nagashima, Hideaki; Inoue, Hidenari; Yoshioka, Naoki An Ideal One-Dimensional Antiferromagnetic Spin System Observed in Hydrogen-Bonded Naphth[2,3-d]imidazol-2-yl Nitronyl Nitroxide Crystal: The Role of the Hydrogen Bond. The journal of physical chemistry. B 108(20) (2004) 6144-6151
Space group: P c a 21
Cell volume: 1697.6
Cell parameters: 13.515; 11.858; 10.593; 90; 90; 90;  

COD ID: 1507133
CIF file Formula: - C12 H18 B2 Co F4 N6 O4 -
Comments: Niklas, Jens; Mardis, Kristy L.; Rakhimov, Rakhim R.; Mulfort, Karen L.; Tiede, David M.; Poluektov, Oleg G. The Hydrogen Catalyst Cobaloxime: A Multifrequency EPR and DFT Study of Cobaloxime's Electronic Structure. The journal of physical chemistry. B 116(9) (2012) 2943-2957
Space group: P 1 21/c 1
Cell volume: 885.4
Cell parameters: 8.55; 11.73; 9.75; 90; 115.12; 90;  

COD ID: 1507141
CIF file Formula: - C16 H22 N2 O3 S -
Comments: Mandai, Toshihiko; Masu, Hyuma; Imanari, Mamoru; Nishikawa, Keiko Comparison between cycloalkyl- and n-alkyl-substituted imidazolium-based ionic liquids in physicochemical properties and reorientational dynamics. The journal of physical chemistry. B 116(7) (2012) 2059-2064
Space group: P 1 21/c 1
Cell volume: 1613.96
Cell parameters: 9.2972; 19.6705; 9.3164; 90; 108.688; 90;  

COD ID: 1507142
CIF file Formula: - C17 H26 N2 O3 S -
Comments: Mandai, Toshihiko; Masu, Hyuma; Imanari, Mamoru; Nishikawa, Keiko Comparison between cycloalkyl- and n-alkyl-substituted imidazolium-based ionic liquids in physicochemical properties and reorientational dynamics. The journal of physical chemistry. B 116(7) (2012) 2059-2064
Space group: P 1 21/c 1
Cell volume: 1844.8
Cell parameters: 20.253; 9.527; 9.677; 90; 98.871; 90;  

COD ID: 1507561
CIF file Formula: - C6 H10 O5 -
Comments: Braun, Doris E.; Tocher, Derek A.; Price, Sarah L.; Griesser, Ulrich J. The complexity of hydration of phloroglucinol: a comprehensive structural and thermodynamic characterization. The journal of physical chemistry. B 116(13) (2012) 3961-3972
Space group: P n m a
Cell volume: 722.4
Cell parameters: 6.6209; 13.5606; 8.0462; 90; 90; 90;  

COD ID: 1507562
CIF file Formula: - C28 H24 N2 O4 S12 -
Comments: Zhu, Qin-Yu; Han, Qiong-Hua; Shao, Ming-Yan; Gu, Jing; Shi, Zheng; Dai, Jie Supramolecular and redox chemistry of tetrathiafulvalene monocarboxylic Acid with hydrogen-bonded pyridine and bipyridine molecules. The journal of physical chemistry. B 116(14) (2012) 4239-4247
Space group: P 1 2/c 1
Cell volume: 3547.6
Cell parameters: 22.44; 5.2005; 31.963; 90; 107.996; 90;  

COD ID: 1508261
CIF file Formula: - C27 H44 O5 -
Comments: Kashyap, Smita; Jayakannan, M. Amphiphilic diblocks sorting into multivesicular bodies and their fluorophore encapsulation capabilities. The journal of physical chemistry. B 116(32) (2012) 9820-9831
Space group: P -1
Cell volume: 5222
Cell parameters: 10.795; 20.28; 24.74; 85.3; 85.82; 75.68;  

COD ID: 1508264
CIF file Formula: - C31 H24 N2 -
Comments: Lin, Che-Jen; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane Photoluminescence and trans →cis photoisomerization of aminostyrene-conjugated phenylpyridine C^N ligands and their complexes with platinum(II): the styryl position and the amino substituent effects. The journal of physical chemistry. B 116(28) (2012) 8222-8232
Space group: P -1
Cell volume: 2265.66
Cell parameters: 9.0927; 14.0793; 19.015; 111.408; 91.151; 90.305;  

COD ID: 1508265
CIF file Formula: - C42 H42 N2 O3.5 Pt -
Comments: Lin, Che-Jen; Liu, Yi-Hung; Peng, Shie-Ming; Yang, Jye-Shane Photoluminescence and trans →cis photoisomerization of aminostyrene-conjugated phenylpyridine C^N ligands and their complexes with platinum(II): the styryl position and the amino substituent effects. The journal of physical chemistry. B 116(28) (2012) 8222-8232
Space group: P 1 21/c 1
Cell volume: 3430.15
Cell parameters: 20.9579; 13.4509; 12.1771; 90; 92.231; 90;  

COD ID: 1508266
CIF file Formula: - C48 H80.8 N4 O32.4 S4 -
Comments: Chen, Ling; Zhang, Ying-Ming; Liu, Yu Molecular Binding Behaviors between Tetrasulfonated Bis(m-phenylene)-26-crown-8 and Bispyridinium Guests in Aqueous Solution. The journal of physical chemistry. B 116(31) (2012) 9500-9506
Space group: P 1 21/n 1
Cell volume: 6307.7
Cell parameters: 14.825; 19.659; 21.761; 90; 95.97; 90;  

COD ID: 1508267
CIF file Formula: - C48 H58 N4 O21 S4 -
Comments: Chen, Ling; Zhang, Ying-Ming; Liu, Yu Molecular Binding Behaviors between Tetrasulfonated Bis(m-phenylene)-26-crown-8 and Bispyridinium Guests in Aqueous Solution. The journal of physical chemistry. B 116(31) (2012) 9500-9506
Space group: P -1
Cell volume: 1245.5
Cell parameters: 8.063; 12.42; 12.585; 89.91; 86.228; 82.075;  

COD ID: 1508539
CIF file Formula: - C72 H80 Co N2 O8 -
Comments: Calzolari, Arrigo; Chen, Yifeng; Lewis, Geoffrey F.; Dougherty, Daniel B.; Shultz, David; Nardelli, Marco Buongiorno Complex materials for molecular spintronics applications: cobalt bis(dioxolene) valence tautomers, from molecules to polymers. The journal of physical chemistry. B 116(43) (2012) 13141-13148
Space group: P -1
Cell volume: 6389.4
Cell parameters: 13.8959; 20.1236; 24.2675; 75.836; 76.571; 89.829;  

COD ID: 1511780
CIF file Formula: - C8 H4 D K O4 -
Comments: Riley, Erin A.; Hess, Chelsea M.; Pioquinto, Jan Rey L.; Kaminsky, Werner; Kahr, Bart; Reid, Philip J. Proton transfer and photoluminescence intermittency of single emitters in dyed crystals. The journal of physical chemistry. B 117(16) (2013) 4313-4324
Space group: P c a 21
Cell volume: 825.9
Cell parameters: 9.598; 13.32; 6.4599; 90; 90; 90;  

COD ID: 1511781
CIF file Formula: - C8 H4 D K O4 -
Comments: Riley, Erin A.; Hess, Chelsea M.; Pioquinto, Jan Rey L.; Kaminsky, Werner; Kahr, Bart; Reid, Philip J. Proton transfer and photoluminescence intermittency of single emitters in dyed crystals. The journal of physical chemistry. B 117(16) (2013) 4313-4324
Space group: P c a 21
Cell volume: 831.42
Cell parameters: 9.6164; 13.3282; 6.4869; 90; 90; 90;  

COD ID: 1511782
CIF file Formula: - C8 H5 K O4 -
Comments: Riley, Erin A.; Hess, Chelsea M.; Pioquinto, Jan Rey L.; Kaminsky, Werner; Kahr, Bart; Reid, Philip J. Proton transfer and photoluminescence intermittency of single emitters in dyed crystals. The journal of physical chemistry. B 117(16) (2013) 4313-4324
Space group: P c a 21
Cell volume: 825.01
Cell parameters: 9.5955; 13.2964; 6.4663; 90; 90; 90;  

COD ID: 1511783
CIF file Formula: - C8 H5 K O4 -
Comments: Riley, Erin A.; Hess, Chelsea M.; Pioquinto, Jan Rey L.; Kaminsky, Werner; Kahr, Bart; Reid, Philip J. Proton transfer and photoluminescence intermittency of single emitters in dyed crystals. The journal of physical chemistry. B 117(16) (2013) 4313-4324
Space group: P c a 21
Cell volume: 831.47
Cell parameters: 9.6172; 13.3264; 6.4876; 90; 90; 90;  

COD ID: 1512129
CIF file Formula: - C35 H72 F9 La N8 O17 S3 -
Comments: Fuchs, Anna; Lundberg, Daniel; Warmińska, Dorota; Persson, Ingmar On the Structure and Volumetric Properties of Solvated Lanthanoid(III) Ions in Amide Solutions. The journal of physical chemistry. B 117(28) (2013) 8502-8511
Space group: P 1 21 1
Cell volume: 5623.8
Cell parameters: 12.6284; 25.1469; 17.7155; 90; 91.527; 90;  

COD ID: 1512253
CIF file Formula: - C11 H12 Cl N3 O S -
Comments: Surov, Artem O.; Bui, Cong Trinh; Proshin, Alexey N.; Roussel, Pascal; Idrissi, Abdenacer; Perlovich, German L. Novel 1,2,4-thiadiazole derivatives: crystal structure, conformational analysis, hydrogen bond networks, calculations, and thermodynamic characteristics of crystal lattices. The journal of physical chemistry. B 117(36) (2013) 10414-10429
Space group: P 1 21/c 1
Cell volume: 1203.5
Cell parameters: 8.7382; 11.7601; 11.8741; 90; 99.503; 90;  

COD ID: 1512254
CIF file Formula: - C12 H15 N3 O2 S -
Comments: Surov, Artem O.; Bui, Cong Trinh; Proshin, Alexey N.; Roussel, Pascal; Idrissi, Abdenacer; Perlovich, German L. Novel 1,2,4-thiadiazole derivatives: crystal structure, conformational analysis, hydrogen bond networks, calculations, and thermodynamic characteristics of crystal lattices. The journal of physical chemistry. B 117(36) (2013) 10414-10429
Space group: P 1 21/c 1
Cell volume: 1239.6
Cell parameters: 11.299; 7.254; 15.444; 90; 101.681; 90;  

COD ID: 1512255
CIF file Formula: - C12 H14 Cl N3 O S -
Comments: Surov, Artem O.; Bui, Cong Trinh; Proshin, Alexey N.; Roussel, Pascal; Idrissi, Abdenacer; Perlovich, German L. Novel 1,2,4-thiadiazole derivatives: crystal structure, conformational analysis, hydrogen bond networks, calculations, and thermodynamic characteristics of crystal lattices. The journal of physical chemistry. B 117(36) (2013) 10414-10429
Space group: P -1
Cell volume: 1292.8
Cell parameters: 7.515; 12.07; 15.831; 70.379; 78.224; 74.463;  

COD ID: 1512256
CIF file Formula: - C12 H15 N3 O S -
Comments: Surov, Artem O.; Bui, Cong Trinh; Proshin, Alexey N.; Roussel, Pascal; Idrissi, Abdenacer; Perlovich, German L. Novel 1,2,4-thiadiazole derivatives: crystal structure, conformational analysis, hydrogen bond networks, calculations, and thermodynamic characteristics of crystal lattices. The journal of physical chemistry. B 117(36) (2013) 10414-10429
Space group: P b c a
Cell volume: 2596.97
Cell parameters: 8.6335; 14.1307; 21.2871; 90; 90; 90;  

COD ID: 1512257
CIF file Formula: - C11 H12 Cl N3 O S -
Comments: Surov, Artem O.; Bui, Cong Trinh; Proshin, Alexey N.; Roussel, Pascal; Idrissi, Abdenacer; Perlovich, German L. Novel 1,2,4-thiadiazole derivatives: crystal structure, conformational analysis, hydrogen bond networks, calculations, and thermodynamic characteristics of crystal lattices. The journal of physical chemistry. B 117(36) (2013) 10414-10429
Space group: P 1 21/c 1
Cell volume: 1232.2
Cell parameters: 12.606; 12.807; 7.633; 90; 90.59; 90;  

COD ID: 1512258
CIF file Formula: - C12 H14 Cl N3 O S -
Comments: Surov, Artem O.; Bui, Cong Trinh; Proshin, Alexey N.; Roussel, Pascal; Idrissi, Abdenacer; Perlovich, German L. Novel 1,2,4-thiadiazole derivatives: crystal structure, conformational analysis, hydrogen bond networks, calculations, and thermodynamic characteristics of crystal lattices. The journal of physical chemistry. B 117(36) (2013) 10414-10429
Space group: P b c a
Cell volume: 2734.9
Cell parameters: 9.4374; 13.0463; 22.2127; 90; 90; 90;  

COD ID: 1512259
CIF file Formula: - C16 H101 Br N O32.5 -
Comments: Rodionova, Tatyana V.; Komarov, Vladislav Yu; Villevald, Galina V.; Karpova, Tamara D.; Kuratieva, Natalia V.; Manakov, Andrey Yu Calorimetric and structural studies of tetrabutylammonium bromide ionic clathrate hydrates. The journal of physical chemistry. B 117(36) (2013) 10677-10685
Space group: P 42/m
Cell volume: 6941
Cell parameters: 23.506; 23.506; 12.563; 90; 90; 90;  

COD ID: 1512260
CIF file Formula: - C16 H84 Br N O24 -
Comments: Rodionova, Tatyana V.; Komarov, Vladislav Yu; Villevald, Galina V.; Karpova, Tamara D.; Kuratieva, Natalia V.; Manakov, Andrey Yu Calorimetric and structural studies of tetrabutylammonium bromide ionic clathrate hydrates. The journal of physical chemistry. B 117(36) (2013) 10677-10685
Space group: P -4
Cell volume: 20983
Cell parameters: 23.492; 23.492; 38.021; 90; 90; 90;  

COD ID: 1512261
CIF file Formula: - C16 H88.8 Br N O26.4 -
Comments: Rodionova, Tatyana V.; Komarov, Vladislav Yu; Villevald, Galina V.; Karpova, Tamara D.; Kuratieva, Natalia V.; Manakov, Andrey Yu Calorimetric and structural studies of tetrabutylammonium bromide ionic clathrate hydrates. The journal of physical chemistry. B 117(36) (2013) 10677-10685
Space group: C c c m
Cell volume: 55449
Cell parameters: 33.115; 33.158; 50.499; 90; 90; 90;  

COD ID: 1513078
CIF file Formula: - C12 H22 F6 N Na O9 S2 -
Comments: Mandai, Toshihiko; Nozawa, Risa; Tsuzuki, Seiji; Yoshida, Kazuki; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi Phase diagrams and solvate structures of binary mixtures of glymes and na salts. The journal of physical chemistry. B 117(48) (2013) 15072-15085
Space group: P -1
Cell volume: 1083
Cell parameters: 8.221; 9.012; 15.966; 80.724; 88.677; 68.189;  

COD ID: 1513079
CIF file Formula: - C10 H22 Cl Na O9 -
Comments: Mandai, Toshihiko; Nozawa, Risa; Tsuzuki, Seiji; Yoshida, Kazuki; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi Phase diagrams and solvate structures of binary mixtures of glymes and na salts. The journal of physical chemistry. B 117(48) (2013) 15072-15085
Space group: P 1 21 1
Cell volume: 1651.6
Cell parameters: 12.539; 9.781; 13.473; 90; 91.773; 90;  

COD ID: 1513080
CIF file Formula: - C14 H26 F6 N Na O10 S2 -
Comments: Mandai, Toshihiko; Nozawa, Risa; Tsuzuki, Seiji; Yoshida, Kazuki; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi Phase diagrams and solvate structures of binary mixtures of glymes and na salts. The journal of physical chemistry. B 117(48) (2013) 15072-15085
Space group: P b c a
Cell volume: 4857.6
Cell parameters: 13.5214; 16.1932; 22.1855; 90; 90; 90;  

COD ID: 1513081
CIF file Formula: - C12 H26 Cl Na O10 -
Comments: Mandai, Toshihiko; Nozawa, Risa; Tsuzuki, Seiji; Yoshida, Kazuki; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi Phase diagrams and solvate structures of binary mixtures of glymes and na salts. The journal of physical chemistry. B 117(48) (2013) 15072-15085
Space group: C 1 c 1
Cell volume: 5503.3
Cell parameters: 12.138; 30.924; 15.3413; 90; 107.119; 90;  

COD ID: 1513082
CIF file Formula: - C12 H26 F6 Na O6 P -
Comments: Mandai, Toshihiko; Nozawa, Risa; Tsuzuki, Seiji; Yoshida, Kazuki; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi Phase diagrams and solvate structures of binary mixtures of glymes and na salts. The journal of physical chemistry. B 117(48) (2013) 15072-15085
Space group: P 1 21/n 1
Cell volume: 1959.3
Cell parameters: 9.568; 17.117; 12.039; 90; 96.437; 90;  

COD ID: 1513376
CIF file Formula: - C19 H21 Br N2 O3 -
Comments: Nardele, Chinmay G.; Asha, S. K. Photoresponsive smectic liquid crystalline multipods and hyperbranched azo polymers. The journal of physical chemistry. B 118(6) (2014) 1670-1684
Space group: P -1
Cell volume: 1838.57
Cell parameters: 6.5873; 15.1475; 18.706; 80.57; 87.305; 88.026;  

COD ID: 1513803
CIF file Formula: - C64 H68 N4 O37.63 S4 -
Comments: Zhang, Ying-Ming; Wang, Ze; Chen, Ling; Song, Hai-Bin; Liu, Yu Thermodynamics and Structures of Complexation between Tetrasulfonated 1,5-Dinaphtho-38-crown-10 and Diquaternary Salts in Aqueous Solution. The journal of physical chemistry. B 118(9) (2014) 2433-2441
Space group: P 1 21 1
Cell volume: 7417
Cell parameters: 14.115; 18.546; 28.97; 90; 102.032; 90;  

COD ID: 1513804
CIF file Formula: - C68 H84.5 N4 O30.25 S4 -
Comments: Zhang, Ying-Ming; Wang, Ze; Chen, Ling; Song, Hai-Bin; Liu, Yu Thermodynamics and Structures of Complexation between Tetrasulfonated 1,5-Dinaphtho-38-crown-10 and Diquaternary Salts in Aqueous Solution. The journal of physical chemistry. B 118(9) (2014) 2433-2441
Space group: P -1
Cell volume: 3599.7
Cell parameters: 8.3143; 14.653; 30.316; 77.39; 89.28; 87.12;  

COD ID: 1513805
CIF file Formula: - C64 H90 N4 O34 S4 -
Comments: Zhang, Ying-Ming; Wang, Ze; Chen, Ling; Song, Hai-Bin; Liu, Yu Thermodynamics and Structures of Complexation between Tetrasulfonated 1,5-Dinaphtho-38-crown-10 and Diquaternary Salts in Aqueous Solution. The journal of physical chemistry. B 118(9) (2014) 2433-2441
Space group: P n a 21
Cell volume: 7448
Cell parameters: 31.15; 16.287; 14.681; 90; 90; 90;  

COD ID: 1514127
CIF file Formula: - C14 H15 N3 O3 -
Comments: Zencirci, Neslihan; Griesser, Ulrich J.; Gelbrich, Thomas; Kahlenberg, Volker; Jetti, Ram K. R.; Apperley, David C.; Harris, Robin K. New solvates of an old drug compound (phenobarbital): structure and stability. The journal of physical chemistry. B 118(12) (2014) 3267-3280
Space group: P -1
Cell volume: 1422
Cell parameters: 10.16; 10.3036; 14.0553; 99.674; 96.774; 97.811;  

COD ID: 1514128
CIF file Formula: - C13 H15 N3 O5 -
Comments: Zencirci, Neslihan; Griesser, Ulrich J.; Gelbrich, Thomas; Kahlenberg, Volker; Jetti, Ram K. R.; Apperley, David C.; Harris, Robin K. New solvates of an old drug compound (phenobarbital): structure and stability. The journal of physical chemistry. B 118(12) (2014) 3267-3280
Space group: P -1
Cell volume: 1415.5
Cell parameters: 10.2543; 10.4086; 13.709; 98.774; 96.171; 98.962;  

COD ID: 1514129
CIF file Formula: - C13 H14 Cl2 N2 O3 -
Comments: Zencirci, Neslihan; Griesser, Ulrich J.; Gelbrich, Thomas; Kahlenberg, Volker; Jetti, Ram K. R.; Apperley, David C.; Harris, Robin K. New solvates of an old drug compound (phenobarbital): structure and stability. The journal of physical chemistry. B 118(12) (2014) 3267-3280
Space group: P 1 21/n 1
Cell volume: 1471.74
Cell parameters: 8.698; 11.9681; 14.259; 90; 97.47; 90;  

COD ID: 1514130
CIF file Formula: - C14 H16 N2 O4 -
Comments: Zencirci, Neslihan; Griesser, Ulrich J.; Gelbrich, Thomas; Kahlenberg, Volker; Jetti, Ram K. R.; Apperley, David C.; Harris, Robin K. New solvates of an old drug compound (phenobarbital): structure and stability. The journal of physical chemistry. B 118(12) (2014) 3267-3280
Space group: P 1 21/n 1
Cell volume: 1356.64
Cell parameters: 6.86417; 11.9645; 16.6842; 90; 98.071; 90;  

COD ID: 1514131
CIF file Formula: - C16 H20 N2 O5 -
Comments: Zencirci, Neslihan; Griesser, Ulrich J.; Gelbrich, Thomas; Kahlenberg, Volker; Jetti, Ram K. R.; Apperley, David C.; Harris, Robin K. New solvates of an old drug compound (phenobarbital): structure and stability. The journal of physical chemistry. B 118(12) (2014) 3267-3280
Space group: P 1 21/n 1
Cell volume: 1641.58
Cell parameters: 10.6052; 10.5502; 14.681; 90; 92.028; 90;  

COD ID: 1514132
CIF file Formula: - C16 H20 N2 O5 -
Comments: Zencirci, Neslihan; Griesser, Ulrich J.; Gelbrich, Thomas; Kahlenberg, Volker; Jetti, Ram K. R.; Apperley, David C.; Harris, Robin K. New solvates of an old drug compound (phenobarbital): structure and stability. The journal of physical chemistry. B 118(12) (2014) 3267-3280
Space group: P 1 21/c 1
Cell volume: 3205.6
Cell parameters: 17.639; 10.4165; 18.374; 90; 108.281; 90;  

COD ID: 1516018
CIF file Formula: - C19 H30 N4 O7 S2 -
Comments: Li, Fee; Bravo-Rodriguez, Kenny; Phillips, Charlotte; Seidel, Rüdiger W; Wieberneit, Florian; Stoll, Raphael; Doltsinis, Nikos L.; Sanchez-Garcia, Elsa; Sander, Wolfram Conformation and dynamics of a cyclic disulfide-bridged peptide: effects of temperature and solvent. The journal of physical chemistry. B 117(13) (2013) 3560-3570
Space group: P 1 21 1
Cell volume: 1175.37
Cell parameters: 5.04229; 18.3451; 12.8083; 90; 97.227; 90;  

COD ID: 1516019
CIF file Formula: - B9 Ba Li O15 -
Comments: Reshak, A. H.; Chen, Xuean; Auluck, S.; Kamarudin, H.; Chyský, Jan; Wojciechowski, A.; Kityk, I. V. Linear and nonlinear optical susceptibilities and the hyperpolarizability of borate LiBaB9O15 single-crystal: theory and experiment. The journal of physical chemistry. B 117(45) (2013) 14141-14150
Space group: R 3 c :H
Cell volume: 1777.8
Cell parameters: 10.973; 10.973; 17.049; 90; 90; 120;  

COD ID: 1516199
CIF file Formula: - C3 Cl N -
Comments: Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B 115(41) (2011) 11805-11815
Space group: P 4/n m m :2
Cell volume: 291.685
Cell parameters: 6.27205; 6.27205; 7.41472; 90; 90; 90;  

COD ID: 1516200
CIF file Formula: - C3 Cl N -
Comments: Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B 115(41) (2011) 11805-11815
Space group: P 4/n m m :2
Cell volume: 290.222
Cell parameters: 6.26158; 6.26158; 7.40222; 90; 90; 90;  

COD ID: 1516201
CIF file Formula: - C3 Cl N -
Comments: Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B 115(41) (2011) 11805-11815
Space group: P 4/n m m :2
Cell volume: 293.509
Cell parameters: 6.28481; 6.28481; 7.43083; 90; 90; 90;  

COD ID: 1516202
CIF file Formula: - C3 Cl N -
Comments: Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B 115(41) (2011) 11805-11815
Space group: P 4/n m m :2
Cell volume: 288.331
Cell parameters: 6.24761; 6.24761; 7.38691; 90; 90; 90;  

COD ID: 1516203
CIF file Formula: - C3 Cl N -
Comments: Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B 115(41) (2011) 11805-11815
Space group: P 4/n m m :2
Cell volume: 291.982
Cell parameters: 6.27406; 6.27406; 7.41752; 90; 90; 90;  

COD ID: 1516204
CIF file Formula: - C3 Cl N -
Comments: Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B 115(41) (2011) 11805-11815
Space group: P 4/n m m :2
Cell volume: 287.813
Cell parameters: 6.24356; 6.24356; 7.38323; 90; 90; 90;  

COD ID: 1516205
CIF file Formula: - C3 Cl N -
Comments: Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B 115(41) (2011) 11805-11815
Space group: P 4/n m m :2
Cell volume: 289.624
Cell parameters: 6.25716; 6.25716; 7.39742; 90; 90; 90;  

COD ID: 1516206
CIF file Formula: - C3 Cl N -
Comments: Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B 115(41) (2011) 11805-11815
Space group: P 4/n m m :2
Cell volume: 290.935
Cell parameters: 6.26687; 6.26687; 7.40789; 90; 90; 90;  

COD ID: 1516207
CIF file Formula: - C3 Cl N -
Comments: Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B 115(41) (2011) 11805-11815
Space group: P 4/n m m :2
Cell volume: 292.735
Cell parameters: 6.27959; 6.27959; 7.42355; 90; 90; 90;  

COD ID: 1516208
CIF file Formula: - C3 Cl N -
Comments: Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B 115(41) (2011) 11805-11815
Space group: P 4/n m m :2
Cell volume: 289.939
Cell parameters: 6.25958; 6.25958; 7.39974; 90; 90; 90;  

COD ID: 1516209
CIF file Formula: - C3 Cl N -
Comments: Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B 115(41) (2011) 11805-11815
Space group: P 4/n m m :2
Cell volume: 293.878
Cell parameters: 6.28727; 6.28727; 7.43434; 90; 90; 90;  

COD ID: 1516210
CIF file Formula: - C3 Cl N -
Comments: Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B 115(41) (2011) 11805-11815
Space group: P 4/n m m :2
Cell volume: 292.395
Cell parameters: 6.27704; 6.27704; 7.42097; 90; 90; 90;  

COD ID: 1516211
CIF file Formula: - C3 Cl N -
Comments: Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B 115(41) (2011) 11805-11815
Space group: P 4/n m m :2
Cell volume: 288.688
Cell parameters: 6.25021; 6.25021; 7.38992; 90; 90; 90;  

COD ID: 1516212
CIF file Formula: - C3 Cl N -
Comments: Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B 115(41) (2011) 11805-11815
Space group: P 4/n m m :2
Cell volume: 288.998
Cell parameters: 6.25254; 6.25254; 7.39233; 90; 90; 90;  

COD ID: 1516213
CIF file Formula: - C3 Cl N -
Comments: Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B 115(41) (2011) 11805-11815
Space group: P 4/n m m :2
Cell volume: 291.272
Cell parameters: 6.26923; 6.26923; 7.41088; 90; 90; 90;  

COD ID: 1516214
CIF file Formula: - C3 Cl N -
Comments: Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B 115(41) (2011) 11805-11815
Space group: P 4/n m m :2
Cell volume: 294.209
Cell parameters: 6.28957; 6.28957; 7.43727; 90; 90; 90;  

COD ID: 1516215
CIF file Formula: - C3 Cl N -
Comments: Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B 115(41) (2011) 11805-11815
Space group: P 4/n m m :2
Cell volume: 289.308
Cell parameters: 6.2548; 6.2548; 7.39492; 90; 90; 90;  

COD ID: 1516216
CIF file Formula: - C3 Cl N -
Comments: Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B 115(41) (2011) 11805-11815
Space group: P 4/n m m :2
Cell volume: 293.153
Cell parameters: 6.2824; 6.2824; 7.42752; 90; 90; 90;  

COD ID: 1516217
CIF file Formula: - C3 Cl N -
Comments: Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B 115(41) (2011) 11805-11815
Space group: P 4/n m m :2
Cell volume: 288.013
Cell parameters: 6.24506; 6.24506; 7.38479; 90; 90; 90;  

COD ID: 1516218
CIF file Formula: - C3 Cl N -
Comments: Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Russina, Olga; Caminiti, Ruggero Crystal polymorphism of propylammonium chloride and structural properties of its mixture with water. The journal of physical chemistry. B 115(41) (2011) 11805-11815
Space group: P 4/n m m :2
Cell volume: 290.599
Cell parameters: 6.26428; 6.26428; 7.40545; 90; 90; 90;  

COD ID: 1516386
CIF file Formula: - C3 H5 Li O2 -
Comments: Martínez Casado, F J; Ramos Riesco, M.; García Pérez, M V; Redondo, M. I.; López-Andrés, S; Rodríguez Cheda, J A Structural and thermodynamic study on short metal alkanoates: lithium propanoate and pentanoate. The journal of physical chemistry. B 113(39) (2009) 12896-12902
Space group: P 1 21/c 1
Cell volume: 409.03
Cell parameters: 9.609; 4.941; 8.648; 90; 94.99; 90;  

COD ID: 1516387
CIF file Formula: - C3 H5 Li O2 -
Comments: Martínez Casado, F J; Ramos Riesco, M.; García Pérez, M V; Redondo, M. I.; López-Andrés, S; Rodríguez Cheda, J A Structural and thermodynamic study on short metal alkanoates: lithium propanoate and pentanoate. The journal of physical chemistry. B 113(39) (2009) 12896-12902
Space group: P 1 21/c 1
Cell volume: 423.94
Cell parameters: 9.823; 4.933; 8.812; 90; 96.86; 90;  

COD ID: 1516388
CIF file Formula: - C3 H5 Li O2 -
Comments: Martínez Casado, F J; Ramos Riesco, M.; García Pérez, M V; Redondo, M. I.; López-Andrés, S; Rodríguez Cheda, J A Structural and thermodynamic study on short metal alkanoates: lithium propanoate and pentanoate. The journal of physical chemistry. B 113(39) (2009) 12896-12902
Space group: P 1 21/c 1
Cell volume: 411.99
Cell parameters: 9.646; 4.932; 8.698; 90; 95.36; 90;  

COD ID: 1516389
CIF file Formula: - C5 H9 Li O2 -
Comments: Martínez Casado, F J; Ramos Riesco, M.; García Pérez, M V; Redondo, M. I.; López-Andrés, S; Rodríguez Cheda, J A Structural and thermodynamic study on short metal alkanoates: lithium propanoate and pentanoate. The journal of physical chemistry. B 113(39) (2009) 12896-12902
Space group: P 1 21/c 1
Cell volume: 595.3
Cell parameters: 14.181; 4.889; 8.63; 90; 95.81; 90;  

COD ID: 1516390
CIF file Formula: - C5 H9 Li O2 -
Comments: Martínez Casado, F J; Ramos Riesco, M.; García Pérez, M V; Redondo, M. I.; López-Andrés, S; Rodríguez Cheda, J A Structural and thermodynamic study on short metal alkanoates: lithium propanoate and pentanoate. The journal of physical chemistry. B 113(39) (2009) 12896-12902
Space group: P 1 21/c 1
Cell volume: 626.1
Cell parameters: 14.358; 4.941; 8.846; 90; 93.92; 90;  

COD ID: 1516391
CIF file Formula: - C39 H39 N5 O6 -
Comments: Ghosh, Kumaresh; Masanta, Goutam; Fröhlich, Roland; Petsalakis, Ioannis D.; Theodorakopoulos, Giannoula Triphenylamine-based receptors in selective recognition of dicarboxylic acids. The journal of physical chemistry. B 113(22) (2009) 7800-7809
Space group: P 1 21/c 1
Cell volume: 3402.9
Cell parameters: 10.441; 42.197; 8.299; 90; 111.46; 90;  

COD ID: 1516392
CIF file Formula: - C38 H35 Br Cl3 N5 O6 -
Comments: Ghosh, Kumaresh; Masanta, Goutam; Fröhlich, Roland; Petsalakis, Ioannis D.; Theodorakopoulos, Giannoula Triphenylamine-based receptors in selective recognition of dicarboxylic acids. The journal of physical chemistry. B 113(22) (2009) 7800-7809
Space group: P 1 21/n 1
Cell volume: 3779.8
Cell parameters: 11.886; 19.507; 16.746; 90; 103.22; 90;  

COD ID: 1516393
CIF file Formula: - C72 H81 N3 O6 -
Comments: Chinta, Jugun Prakash; Acharya, Amitabha; Kumar, Amit; Rao, Chebrolu P. Spectroscopy and microscopy studies of the recognition of amino acids and aggregation of proteins by Zn(II) complex of lower rim naphthylidene conjugate of calix[4]arene. The journal of physical chemistry. B 113(35) (2009) 12075-12083
Space group: P -1
Cell volume: 3114.6
Cell parameters: 11.39; 12.106; 24.799; 103.162; 95.459; 108.054;  

COD ID: 1516394
CIF file Formula: - C92 H156 Br Cl N30 O53 -
Comments: Fedorova, Olga A.; Chernikova, Ekaterina Yu; Fedorov, Yuri V.; Gulakova, Elena N.; Peregudov, Aleksander S.; Lyssenko, Konstantin A.; Jonusauskas, Gediminas; Isaacs, Lyle Cucurbit[7]uril complexes of crown-ether derived styryl and (bis)styryl dyes. The journal of physical chemistry. B 113(30) (2009) 10149-10158
Space group: P -1
Cell volume: 6388
Cell parameters: 14.97; 15.11; 29.968; 104.6; 102.7; 90;  

COD ID: 1516395
CIF file Formula: - C6 H6 Eu O9 -
Comments: Rodrigues, Marcelo O.; Paz, Filipe A Almeida; Freire, Ricardo O.; de Sá, Gilberto F; Galembeck, André; Montenegro, Maria C. B. S. M.; Araújo, Alberto N; Alves, S. Modeling, structural, and spectroscopic studies of lanthanide-organic frameworks. The journal of physical chemistry. B 113(36) (2009) 12181-12188
Space group: P n n m
Cell volume: 902.75
Cell parameters: 13.4361; 6.625; 10.1416; 90; 90; 90;  

COD ID: 1516396
CIF file Formula: - C6 H6 Gd O9 -
Comments: Rodrigues, Marcelo O.; Paz, Filipe A Almeida; Freire, Ricardo O.; de Sá, Gilberto F; Galembeck, André; Montenegro, Maria C. B. S. M.; Araújo, Alberto N; Alves, S. Modeling, structural, and spectroscopic studies of lanthanide-organic frameworks. The journal of physical chemistry. B 113(36) (2009) 12181-12188
Space group: P n n m
Cell volume: 890
Cell parameters: 13.3662; 6.5897; 10.1045; 90; 90; 90;  

COD ID: 1516397
CIF file Formula: - C6 H6 O9 Tb -
Comments: Rodrigues, Marcelo O.; Paz, Filipe A Almeida; Freire, Ricardo O.; de Sá, Gilberto F; Galembeck, André; Montenegro, Maria C. B. S. M.; Araújo, Alberto N; Alves, S. Modeling, structural, and spectroscopic studies of lanthanide-organic frameworks. The journal of physical chemistry. B 113(36) (2009) 12181-12188
Space group: P n n m
Cell volume: 884.74
Cell parameters: 13.341; 6.5718; 10.0912; 90; 90; 90;  

COD ID: 1516398
CIF file Formula: - C21 H15 N6 Ni S4 -
Comments: Tian, Zhengfang; Duan, Haibao; Ren, Xiaoming; Lu, Changsheng; Li, Yizhi; Song, You; Zhu, Huizhen; Meng, Qingjin Two spin-peierls-like compounds exhibiting divergent structural features, lattice compression, and expansion in the low- temperature phase. The journal of physical chemistry. B 113(24) (2009) 8278-8283
Space group: P 1 21/c 1
Cell volume: 2366.6
Cell parameters: 12.137; 26.69; 7.526; 90; 103.896; 90;  

COD ID: 1516399
CIF file Formula: - C21 H14 N5 Ni S4 -
Comments: Tian, Zhengfang; Duan, Haibao; Ren, Xiaoming; Lu, Changsheng; Li, Yizhi; Song, You; Zhu, Huizhen; Meng, Qingjin Two spin-peierls-like compounds exhibiting divergent structural features, lattice compression, and expansion in the low- temperature phase. The journal of physical chemistry. B 113(24) (2009) 8278-8283
Space group: P 1 21/c 1
Cell volume: 2306.7
Cell parameters: 12.123; 26.446; 7.389; 90; 103.168; 90;  

COD ID: 1516400
CIF file Formula: - C21 H14 N5 Ni S4 -
Comments: Tian, Zhengfang; Duan, Haibao; Ren, Xiaoming; Lu, Changsheng; Li, Yizhi; Song, You; Zhu, Huizhen; Meng, Qingjin Two spin-peierls-like compounds exhibiting divergent structural features, lattice compression, and expansion in the low- temperature phase. The journal of physical chemistry. B 113(24) (2009) 8278-8283
Space group: P -1
Cell volume: 2245.6
Cell parameters: 7.239; 12.109; 26.347; 88.629; 86.36; 76.992;  

COD ID: 1516401
CIF file Formula: - C21 H15 N6 Ni S4 -
Comments: Tian, Zhengfang; Duan, Haibao; Ren, Xiaoming; Lu, Changsheng; Li, Yizhi; Song, You; Zhu, Huizhen; Meng, Qingjin Two spin-peierls-like compounds exhibiting divergent structural features, lattice compression, and expansion in the low- temperature phase. The journal of physical chemistry. B 113(24) (2009) 8278-8283
Space group: P -1
Cell volume: 2481
Cell parameters: 7.311; 12.252; 28.68; 91.557; 92.682; 104.625;  

COD ID: 1516402
CIF file Formula: - C10 H18 Cl3 Eu N2 O5 -
Comments: Puntus, Lada N.; Lyssenko, Konstantin A.; Pekareva, Irina S.; Bünzli, Jean-Claude G Intermolecular interactions as actors in energy-transfer processes in lanthanide complexes with 2,2'-bipyridine. The journal of physical chemistry. B 113(27) (2009) 9265-9277
Space group: P -1
Cell volume: 849.19
Cell parameters: 6.9602; 11.046; 11.432; 89.2875; 85.9659; 75.6017;  

COD ID: 1516403
CIF file Formula: - C10 H18 Cl3 N2 O5 Tb -
Comments: Puntus, Lada N.; Lyssenko, Konstantin A.; Pekareva, Irina S.; Bünzli, Jean-Claude G Intermolecular interactions as actors in energy-transfer processes in lanthanide complexes with 2,2'-bipyridine. The journal of physical chemistry. B 113(27) (2009) 9265-9277
Space group: P -1
Cell volume: 842.2
Cell parameters: 6.9347; 10.9975; 11.4293; 89.275; 85.846; 75.644;  

COD ID: 1516404
CIF file Formula: - C20 H38.3 Cl6 Eu2 N4 O11.15 -
Comments: Puntus, Lada N.; Lyssenko, Konstantin A.; Pekareva, Irina S.; Bünzli, Jean-Claude G Intermolecular interactions as actors in energy-transfer processes in lanthanide complexes with 2,2'-bipyridine. The journal of physical chemistry. B 113(27) (2009) 9265-9277
Space group: P -1
Cell volume: 1774.79
Cell parameters: 8.0772; 9.4719; 24.046; 86.23; 87.6618; 75.2674;  

COD ID: 1516405
CIF file Formula: - C20 H38.3 Cl6 N4 O11.15 Tb2 -
Comments: Puntus, Lada N.; Lyssenko, Konstantin A.; Pekareva, Irina S.; Bünzli, Jean-Claude G Intermolecular interactions as actors in energy-transfer processes in lanthanide complexes with 2,2'-bipyridine. The journal of physical chemistry. B 113(27) (2009) 9265-9277
Space group: P -1
Cell volume: 1759.33
Cell parameters: 8.0501; 9.4525; 23.9554; 86.419; 87.878; 75.301;  

COD ID: 1516406
CIF file Formula: - C20 H20 Cl3 Eu N4 O2 -
Comments: Puntus, Lada N.; Lyssenko, Konstantin A.; Pekareva, Irina S.; Bünzli, Jean-Claude G Intermolecular interactions as actors in energy-transfer processes in lanthanide complexes with 2,2'-bipyridine. The journal of physical chemistry. B 113(27) (2009) 9265-9277
Space group: C 1 2/c 1
Cell volume: 2194.8
Cell parameters: 15.6601; 11.3228; 13.9002; 90; 117.066; 90;  

COD ID: 1516407
CIF file Formula: - C20 H26 Cl3 N4 O5 Tb -
Comments: Puntus, Lada N.; Lyssenko, Konstantin A.; Pekareva, Irina S.; Bünzli, Jean-Claude G Intermolecular interactions as actors in energy-transfer processes in lanthanide complexes with 2,2'-bipyridine. The journal of physical chemistry. B 113(27) (2009) 9265-9277
Space group: P 1 21/n 1
Cell volume: 2432.1
Cell parameters: 17.0971; 9.2782; 17.1306; 90; 116.493; 90;  


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